yammbs/pixi.lock at main · openforcefield/yammbs · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
version: 6
environments:
  default:
    channels:
    - url: https://conda.anaconda.org/conda-forge/
    - url: https://conda.anaconda.org/openeye/
    indexes:
    - https://pypi.org/simple
    options:
      pypi-prerelease-mode: if-necessary-or-explicit
    packages:
      linux-64:
      - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-7_kmp_llvm.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/_python_abi3_support-1.0-hd8ed1ab_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/ambertools-24.8-cuda_None_nompi_py312hbe1986e_101.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/annotated-types-0.7.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/anyio-4.12.1-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/apsw-3.51.2.0-py312h4c3975b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/argcomplete-3.6.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/argon2-cffi-25.1.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/argon2-cffi-bindings-25.1.0-py312h4c3975b_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/arpack-3.9.1-nompi_hf03ea27_102.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/arrow-1.4.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/asttokens-3.0.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/async-lru-2.2.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/attrs-25.4.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/babel-2.18.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/backports.zstd-1.3.0-py312h90b7ffd_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/basis_set_exchange-0.12-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/beautifulsoup4-4.14.3-pyha770c72_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/biopython-1.86-py312h4c3975b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-6.3.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-with-css-6.3.0-hbca2aae_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/blosc-1.21.6-he440d0b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bokeh-3.8.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-1.2.0-hed03a55_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-bin-1.2.0-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-python-1.2.0-py312hdb49522_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bson-0.5.10-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/bzip2-1.0.8-hda65f42_9.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/c-ares-1.34.6-hb03c661_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/c-blosc2-2.23.1-hc31b594_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ca-certificates-2026.2.25-hbd8a1cb_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/cachetools-7.0.5-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.4-h3394656_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/certifi-2026.2.25-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/cffi-2.0.0-py312h460c074_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/cftime-1.6.5-py312h4f23490_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/charset-normalizer-3.4.5-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/click-8.3.1-pyh8f84b5b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/click-option-group-0.5.6-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/colorama-0.4.6-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/comm-0.2.3-pyhe01879c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/contourpy-1.3.3-py312h0a2e395_4.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cpython-3.12.13-py312hd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/cuda-nvrtc-13.2.51-hecca717_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cuda-version-13.2-he2cc418_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cycler-0.12.1-pyhcf101f3_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/cyrus-sasl-2.1.28-hd9c7081_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/debugpy-1.8.20-py312h8285ef7_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/decorator-5.2.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/defusedxml-0.7.1-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/exceptiongroup-1.3.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/executing-2.2.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/fftw-3.3.10-nompi_h3b011a4_112.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/filelock-3.25.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/flexcache-0.3-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/flexparser-0.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-dejavu-sans-mono-2.37-hab24e00_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-inconsolata-3.000-h77eed37_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-source-code-pro-2.038-h77eed37_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_3.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/fontconfig-2.17.1-h27c8c51_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-ecosystem-1-0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-forge-1-hc364b38_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/fonttools-4.62.0-py312h8a5da7c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/fqdn-1.5.1-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/freetype-2.14.2-ha770c72_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/freetype-py-2.3.0-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/fsspec-2026.2.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/gmp-6.3.0-hac33072_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/gmpy2-2.3.0-py312hcaba1f9_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/greenlet-3.3.2-py312h8285ef7_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.1.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/gsd-4.2.0-h31e983c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/h11-0.16.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/h2-4.3.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/h5py-3.15.1-nompi_py312ha4f8f14_101.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/hdf4-4.2.15-h2a13503_7.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/hdf5-1.14.6-nompi_h19486de_106.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/hpack-4.1.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/httpcore-1.0.9-pyh29332c3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/httpx-0.28.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/hyperframe-6.1.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/icu-75.1-he02047a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/idna-3.11-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/importlib-metadata-8.7.0-pyhe01879c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/importlib_resources-6.5.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/iniconfig-2.3.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipykernel-7.2.0-pyha191276_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipython-9.11.0-pyhecfbec7_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipython_pygments_lexers-1.1.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipywidgets-8.1.8-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/isoduration-20.11.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jedi-0.19.2-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jinja2-3.1.6-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/joblib-1.5.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/json5-0.13.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonpointer-3.0.0-pyhcf101f3_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-4.26.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-specifications-2025.9.1-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-with-format-nongpl-4.26.0-hcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter-lsp-2.3.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_client-8.8.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_core-5.9.1-pyhc90fa1f_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_events-0.12.0-pyhe01879c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server-2.17.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server_terminals-0.5.4-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab-4.5.5-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_pygments-0.3.0-pyhd8ed1ab_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_server-2.28.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_widgets-3.0.16-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/keyutils-1.6.3-hb9d3cd8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/kiwisolver-1.5.0-py312h0a2e395_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/krb5-1.21.3-h659f571_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/lark-1.3.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/lcms2-2.18-h0c24ade_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.45.1-default_hbd61a6d_101.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/lerc-4.1.0-hdb68285_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libabseil-20250512.1-cxx17_hba17884_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libaec-1.1.5-h088129d_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libblas-3.11.0-5_h5875eb1_mkl.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libboost-1.86.0-hed09d94_4.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libboost-python-1.86.0-py312hf890105_5.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libbrotlicommon-1.2.0-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libbrotlidec-1.2.0-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libbrotlienc-1.2.0-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libcblas-3.11.0-5_hfef963f_mkl.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libcufft-12.2.0.37-hecca717_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libcurl-8.18.0-h4e3cde8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libdeflate-1.25-h17f619e_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libedit-3.1.20250104-pl5321h7949ede_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libev-4.33-hd590300_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.7.4-hecca717_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libffi-3.5.2-h3435931_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libfreetype-2.14.2-ha770c72_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libfreetype6-2.14.2-h73754d4_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-15.2.0-he0feb66_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-15.2.0-h69a702a_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgfortran-15.2.0-h69a702a_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-15.2.0-h68bc16d_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libglib-2.86.4-h6548e54_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgomp-15.2.0-he0feb66_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libhwloc-2.12.1-default_h3d81e11_1000.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libiconv-1.18-h3b78370_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libjpeg-turbo-3.1.2-hb03c661_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/liblapack-3.11.0-5_h5e43f62_mkl.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/liblzma-5.8.2-hb03c661_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libnetcdf-4.9.2-nompi_h21f7587_118.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libnghttp2-1.67.0-had1ee68_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libnsl-2.0.1-hb9d3cd8_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libntlm-1.8-hb9d3cd8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libpng-1.6.55-h421ea60_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libpq-18.1-h5c52fec_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libprotobuf-6.31.1-h49aed37_4.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/librdkit-2025.09.5-h3c5c181_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libsodium-1.0.20-h4ab18f5_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libsqlite-3.51.1-h0c1763c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libssh2-1.11.1-hcf80075_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-15.2.0-h934c35e_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-15.2.0-hdf11a46_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libtiff-4.7.1-h9d88235_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libtorch-2.8.0-cpu_mkl_h09b866c_102.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libuuid-2.41.3-h5347b49_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libuv-1.51.0-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libwebp-base-1.6.0-hd42ef1d_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libxcb-1.17.0-h8a09558_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libxcrypt-4.4.36-hd590300_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libxml2-2.13.9-h04c0eec_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libxslt-1.1.43-h7a3aeb2_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libzip-1.11.2-h6991a6a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libzlib-1.3.1-hb9d3cd8_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/lightning-utilities-0.15.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/linkify-it-py-2.1.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/llvm-openmp-22.1.0-h4922eb0_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/lxml-6.0.2-py312h70dad80_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/lz4-c-1.10.0-h5888daf_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/markdown-3.10.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/markdown-it-py-4.0.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/markupsafe-3.0.3-py312h8a5da7c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/matplotlib-base-3.10.8-py312he3d6523_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/matplotlib-inline-0.2.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/mdanalysis-2.10.0-py312hf79963d_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mdit-py-plugins-0.5.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/mdtraj-1.11.1-np2py312h8baca0b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mdurl-0.1.2-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mistune-3.2.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/mkl-2025.3.0-h0e700b2_463.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mmtf-python-1.1.3-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/linux-64/mpc-1.3.1-h24ddda3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/mpfr-4.2.1-h90cbb55_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mpmath-1.4.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mrcfile-1.5.4-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/msgpack-python-1.1.2-py312hd9148b4_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/munkres-1.1.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/narwhals-2.17.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nbclient-0.10.4-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nbconvert-core-7.17.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nbformat-5.10.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/ncurses-6.5-h2d0b736_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nest-asyncio-1.6.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/netcdf-fortran-4.6.2-nompi_h5aa5643_101.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/netcdf4-1.7.2-nompi_py312hdd76c12_103.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/networkx-3.6.1-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/notebook-7.5.4-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/notebook-shim-0.2.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/numexpr-2.14.1-mkl_py312h4fb851f_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/numpy-2.2.6-py312h72c5963_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/ocl-icd-2.3.3-hb9d3cd8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/ocl-icd-system-1.0.0-1.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/linux-64/opencl-headers-2025.06.13-h5888daf_0.conda
      - conda: https://conda.anaconda.org/openeye/linux-64/openeye-toolkits-2025.2.2-py312_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-amber-ff-ports-2025.09.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-forcefields-2026.01.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-interchange-0.5.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-interchange-base-0.5.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-0.5.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-base-0.5.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-models-2025.9.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-qcsubmit-0.57.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-toolkit-0.18.0-pyhd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-toolkit-base-0.18.0-pyhd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-units-0.3.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-utilities-0.1.16-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/openjpeg-2.5.4-h55fea9a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/openldap-2.6.10-he970967_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/openmm-8.4.0-py312ha28768a_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openmmforcefields-0.15.1-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/openssl-3.6.1-h35e630c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/optree-0.19.0-py312hd9148b4_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/overrides-7.7.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/packaging-26.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pandas-2.3.3-py312hf79963d_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pandocfilters-1.5.0-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/panel-1.8.9-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/param-2.3.2-pyhc455866_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/parmed-4.3.1-py312h7ab193c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/parso-0.8.6-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/patsy-1.0.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pcre2-10.47-haa7fec5_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/perl-5.32.1-7_hd590300_perl5.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pexpect-4.9.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pillow-12.1.1-py312h50c33e8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pint-0.25.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pip-26.0.1-pyh8b19718_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pixman-0.46.4-h54a6638_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/platformdirs-4.9.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pluggy-1.6.0-pyhf9edf01_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/prometheus_client-0.24.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/prompt-toolkit-3.0.52-pyha770c72_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/psutil-7.2.2-py312h5253ce2_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pthread-stubs-0.4-hb9d3cd8_1002.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ptyprocess-0.7.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pure_eval-0.2.3-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/py-cpuinfo-9.0.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-2.13.6-pyhc790b64_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-abi-4-hd8ed1ab_3.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-global-2.13.6-pyh217bc35_3.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pycairo-1.29.0-py312h2596900_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pycparser-2.22-pyh29332c3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pydantic-2.11.10-pyh3cfb1c2_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pydantic-core-2.33.2-py312h680f630_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pyedr-0.8.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pygments-2.19.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pyjwt-2.11.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pyparsing-3.3.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pysocks-1.7.1-pyha55dd90_7.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pytables-3.11.1-py312hefc0c3f_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pytest-9.0.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/python-3.12.12-hd63d673_1_cpython.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-constraint-1.4.0-pyhff2d567_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-dateutil-2.9.0.post0-pyhe01879c_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-fastjsonschema-2.21.2-pyhe01879c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-gil-3.12.13-hd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-json-logger-2.0.7-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-tzdata-2025.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python_abi-3.12-8_cp312.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pytng-0.3.4-py312heed6b8f_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pytorch-2.8.0-cpu_mkl_py312_hb1fc07b_102.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pytorch-lightning-2.6.1-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pytz-2025.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pyviz_comms-3.0.6-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pyyaml-6.0.3-py312h8a5da7c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pyzmq-27.1.0-py312hda471dd_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/qcelemental-0.29.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/qcportal-0.63-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/qhull-2020.2-h434a139_5.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/rdkit-2025.09.5-py312h3ecb6ed_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/readline-8.3-h853b02a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/referencing-0.37.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/regex-2026.2.28-py312h4c3975b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/reportlab-4.4.10-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/requests-2.32.5-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/rfc3339-validator-0.1.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/rfc3986-validator-0.1.1-pyh9f0ad1d_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/rfc3987-syntax-1.1.0-pyhe01879c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/rich-14.3.3-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/rlpycairo-0.4.0-pyh6c17108_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/rocm-core-7.0.2-h54a6638_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/rpds-py-0.30.0-py312h868fb18_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/scikit-learn-1.8.0-np2py312h3226591_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/scipy-1.17.1-py312h54fa4ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/seaborn-0.13.2-hd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/seaborn-base-0.13.2-pyhd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/send2trash-2.1.0-pyha191276_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/setuptools-82.0.1-pyh332efcf_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/setuptools-scm-9.2.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/setuptools_scm-9.2.2-hd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/six-1.17.0-pyhe01879c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/sleef-3.9.0-ha0421bc_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/snappy-1.2.2-h03e3b7b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/sniffio-1.3.1-pyhd8ed1ab_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/soupsieve-2.8.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/sqlalchemy-2.0.48-py312h5253ce2_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/stack_data-0.6.3-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/statsmodels-0.14.6-py312h4f23490_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/sympy-1.14.0-pyh2585a3b_106.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tabulate-0.10.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/tbb-2022.3.0-h8d10470_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/terminado-0.18.1-pyhc90fa1f_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.6.0-pyhecae5ae_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tidynamics-1.1.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tinycss2-1.4.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tinydb-4.8.2-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/tk-8.6.13-noxft_h366c992_103.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tomli-2.4.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/torchmetrics-1.8.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/tornado-6.5.3-py312h4c3975b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tqdm-4.67.3-pyh8f84b5b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/traitlets-5.14.3-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/typing-extensions-4.15.0-h396c80c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/typing-inspection-0.4.2-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/typing_extensions-4.15.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/typing_utils-0.1.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tzdata-2025c-hc9c84f9_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/uc-micro-py-2.0.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/unicodedata2-17.0.1-py312h4c3975b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/unidecode-1.4.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/uri-template-1.3.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/urllib3-2.6.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/validators-0.35.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/wcwidth-0.6.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/webcolors-25.10.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/webencodings-0.5.1-pyhd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/websocket-client-1.9.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/wheel-0.46.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/widgetsnbextension-4.0.15-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/xmltodict-1.0.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/xorg-libice-1.1.2-hb9d3cd8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/xorg-libsm-1.2.6-he73a12e_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/xorg-libx11-1.8.13-he1eb515_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/xorg-libxau-1.0.12-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/xorg-libxdmcp-1.1.5-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/xorg-libxext-1.3.7-hb03c661_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/xorg-libxrender-0.9.12-hb9d3cd8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/xorg-libxt-1.3.1-hb9d3cd8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/xyzservices-2025.11.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/yaml-0.2.5-h280c20c_3.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/zeromq-4.3.5-h387f397_9.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/zipp-3.23.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/zlib-1.3.1-hb9d3cd8_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/zlib-ng-2.3.3-hceb46e0_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/zstandard-0.25.0-py312h5253ce2_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/zstd-1.5.7-hb78ec9c_6.conda
      - pypi: ./
      osx-arm64:
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/_openmp_mutex-4.5-7_kmp_llvm.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/_python_abi3_support-1.0-hd8ed1ab_2.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/ambertools-24.8-cuda_None_nompi_py312h59db364_101.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/annotated-types-0.7.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/anyio-4.12.1-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/appnope-0.1.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/apsw-3.51.2.0-py312h2bbb03f_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/argcomplete-3.6.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/argon2-cffi-25.1.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/argon2-cffi-bindings-25.1.0-py312h4409184_2.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/arpack-3.9.1-nompi_h1f29f7c_102.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/arrow-1.4.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/asttokens-3.0.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/async-lru-2.2.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/attrs-25.4.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/babel-2.18.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/backports.zstd-1.3.0-py312h44dc372_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/basis_set_exchange-0.12-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/beautifulsoup4-4.14.3-pyha770c72_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/biopython-1.86-py312h2bbb03f_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-6.3.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-with-css-6.3.0-hbca2aae_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/blosc-1.21.6-h7dd00d9_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bokeh-3.8.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/brotli-1.2.0-h7d5ae5b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/brotli-bin-1.2.0-hc919400_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/brotli-python-1.2.0-py312h0dfefe5_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bson-0.5.10-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/bzip2-1.0.8-hd037594_9.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/c-ares-1.34.6-hc919400_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/c-blosc2-2.23.1-hf9886e1_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ca-certificates-2026.2.25-hbd8a1cb_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/cachetools-7.0.5-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/cairo-1.18.4-h6a3b0d2_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/certifi-2026.2.25-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/cffi-2.0.0-py312h1b4d9a2_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/cftime-1.6.5-py312hf57c059_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/charset-normalizer-3.4.5-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/click-8.3.1-pyh8f84b5b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/click-option-group-0.5.6-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/colorama-0.4.6-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/comm-0.2.3-pyhe01879c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/contourpy-1.3.3-py312h3093aea_4.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cpython-3.12.13-py312hd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cycler-0.12.1-pyhcf101f3_2.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/cyrus-sasl-2.1.28-ha1cbb27_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/debugpy-1.8.20-py312h6510ced_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/decorator-5.2.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/defusedxml-0.7.1-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/exceptiongroup-1.3.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/executing-2.2.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/fftw-3.3.10-nompi_haf1500d_112.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/filelock-3.25.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/flexcache-0.3-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/flexparser-0.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-dejavu-sans-mono-2.37-hab24e00_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-inconsolata-3.000-h77eed37_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-source-code-pro-2.038-h77eed37_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_3.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/fontconfig-2.17.1-h2b252f5_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-ecosystem-1-0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-forge-1-hc364b38_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/fonttools-4.61.1-py312h5748b74_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/fqdn-1.5.1-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/freetype-2.14.2-hce30654_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/freetype-py-2.3.0-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/fsspec-2026.2.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/gmp-6.3.0-h7bae524_2.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/gmpy2-2.3.0-py312he1ee7cc_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/greenlet-3.3.2-py312h6510ced_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.1.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/gsd-4.2.0-h9bff6d5_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/h11-0.16.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/h2-4.3.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/h5py-3.15.1-nompi_py312h4eecd6b_101.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/hdf4-4.2.15-h2ee6834_7.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/hdf5-1.14.6-nompi_had3affe_106.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/hpack-4.1.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/httpcore-1.0.9-pyh29332c3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/httpx-0.28.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/hyperframe-6.1.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/icu-75.1-hfee45f7_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/idna-3.11-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/importlib-metadata-8.7.0-pyhe01879c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/importlib_resources-6.5.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/iniconfig-2.3.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipykernel-7.2.0-pyh5552912_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipython-9.11.0-pyhecfbec7_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipython_pygments_lexers-1.1.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipywidgets-8.1.8-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/isoduration-20.11.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jedi-0.19.2-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jinja2-3.1.6-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/joblib-1.5.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/json5-0.13.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonpointer-3.0.0-pyhcf101f3_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-4.26.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-specifications-2025.9.1-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-with-format-nongpl-4.26.0-hcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter-lsp-2.3.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_client-8.8.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_core-5.9.1-pyhc90fa1f_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_events-0.12.0-pyhe01879c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server-2.17.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server_terminals-0.5.4-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab-4.5.5-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_pygments-0.3.0-pyhd8ed1ab_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_server-2.28.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_widgets-3.0.16-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/khronos-opencl-icd-loader-2024.10.24-h5505292_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/kiwisolver-1.5.0-py312h3093aea_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/krb5-1.21.3-h237132a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/lark-1.3.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/lcms2-2.18-hdfa7624_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/lerc-4.1.0-h1eee2c3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libabseil-20250512.1-cxx17_hd41c47c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libaec-1.1.5-h8664d51_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libblas-3.11.0-5_h51639a9_openblas.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libboost-1.86.0-hf493ff8_4.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libboost-python-1.86.0-py312hdeff4eb_5.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libbrotlicommon-1.2.0-hc919400_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libbrotlidec-1.2.0-hc919400_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libbrotlienc-1.2.0-hc919400_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libcblas-3.11.0-5_hb0561ab_openblas.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libcurl-8.18.0-he38603e_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libcxx-22.1.0-h55c6f16_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libdeflate-1.25-hc11a715_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libedit-3.1.20250104-pl5321hafb1f1b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libev-4.33-h93a5062_2.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libexpat-2.7.4-hf6b4638_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libffi-3.5.2-hcf2aa1b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libfreetype-2.14.2-hce30654_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libfreetype6-2.14.2-hdfa99f5_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgcc-15.2.0-hcbb3090_18.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgfortran-15.2.0-h07b0088_18.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libgfortran5-15.2.0-hdae7583_18.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libglib-2.86.4-he378b5c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libiconv-1.18-h23cfdf5_2.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libintl-0.25.1-h493aca8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libjpeg-turbo-3.1.2-hc919400_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/liblapack-3.11.0-5_hd9741b5_openblas.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/liblzma-5.8.2-h8088a28_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libnetcdf-4.9.2-nompi_h2d3d5cf_118.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libnghttp2-1.67.0-hc438710_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libntlm-1.8-h5505292_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libopenblas-0.3.30-openmp_ha158390_4.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libpng-1.6.55-h132b30e_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libpq-18.1-h944245b_2.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libprotobuf-6.31.1-h98f38fd_4.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/librdkit-2025.09.5-h26160e4_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libsodium-1.0.20-h99b78c6_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libsqlite-3.51.1-h1b79a29_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libssh2-1.11.1-h1590b86_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libtiff-4.7.1-h4030677_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libtorch-2.8.0-cpu_generic_h853542e_2.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libuv-1.51.0-h6caf38d_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libwebp-base-1.6.0-h07db88b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libxcb-1.17.0-hdb1d25a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libxml2-2.13.9-h4a9ca0c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libxslt-1.1.43-h429d6fd_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libzip-1.11.2-h1336266_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/libzlib-1.3.1-h8359307_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/lightning-utilities-0.15.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/linkify-it-py-2.1.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/llvm-openmp-22.1.0-hc7d1edf_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/lxml-6.0.2-py312hfcb44ad_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/lz4-c-1.10.0-h286801f_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/markdown-3.10.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/markdown-it-py-4.0.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/markupsafe-3.0.3-py312h04c11ed_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/matplotlib-base-3.10.8-py312h605b88b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/matplotlib-inline-0.2.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/mdanalysis-2.10.0-py312h5978115_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mdit-py-plugins-0.5.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/mdtraj-1.11.1-np2py312h2df5d9b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mdurl-0.1.2-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mistune-3.2.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mmtf-python-1.1.3-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/mpc-1.3.1-h8f1351a_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/mpfr-4.2.1-hb693164_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mpmath-1.4.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mrcfile-1.5.4-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/msgpack-python-1.1.2-py312h84eede6_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/munkres-1.1.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/narwhals-2.17.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nbclient-0.10.4-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nbconvert-core-7.17.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nbformat-5.10.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/ncurses-6.5-h5e97a16_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nest-asyncio-1.6.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/netcdf-fortran-4.6.2-nompi_h170865b_101.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/netcdf4-1.7.2-nompi_py312hd50420b_103.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/networkx-3.6.1-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nomkl-1.0-h5ca1d4c_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/notebook-7.5.4-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/notebook-shim-0.2.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/numexpr-2.14.1-py312h3de7d89_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/numpy-2.2.6-py312h7c1f314_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/ocl_icd_wrapper_apple-1.0.0-h27ca646_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/opencl-headers-2025.06.13-h286801f_0.conda
      - conda: https://conda.anaconda.org/openeye/osx-arm64/openeye-toolkits-2025.2.2-py312_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-amber-ff-ports-2025.09.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-forcefields-2026.01.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-interchange-0.5.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-interchange-base-0.5.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-0.5.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-base-0.5.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-models-2025.9.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-qcsubmit-0.57.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-toolkit-0.18.0-pyhd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-toolkit-base-0.18.0-pyhd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-units-0.3.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-utilities-0.1.16-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/openjpeg-2.5.4-hd9e9057_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/openldap-2.6.10-hbe55e7a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/openmm-8.4.0-py312haf4a1b8_2_khronos.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openmmforcefields-0.15.1-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/openssl-3.6.1-hd24854e_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/optree-0.19.0-py312h766f71e_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/overrides-7.7.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/packaging-26.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pandas-2.3.3-py312h5978115_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pandocfilters-1.5.0-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/panel-1.8.9-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/param-2.3.2-pyhc455866_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/parmed-4.3.1-py312h0ec3ceb_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/parso-0.8.6-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/patsy-1.0.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pcre2-10.47-h30297fc_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/perl-5.32.1-7_h4614cfb_perl5.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pexpect-4.9.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pillow-12.1.1-py312h4e908a4_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pint-0.25.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pip-26.0.1-pyh8b19718_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pixman-0.46.4-h81086ad_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/platformdirs-4.9.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pluggy-1.6.0-pyhf9edf01_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/prometheus_client-0.24.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/prompt-toolkit-3.0.52-pyha770c72_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/psutil-7.2.2-py312hb3ab3e3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pthread-stubs-0.4-hd74edd7_1002.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ptyprocess-0.7.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pure_eval-0.2.3-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/py-cpuinfo-9.0.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-2.13.6-pyhc790b64_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-abi-4-hd8ed1ab_3.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/pybind11-global-2.13.6-pyh217bc35_3.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pycairo-1.29.0-py312h2437029_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pycparser-2.22-pyh29332c3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pydantic-2.11.10-pyh3cfb1c2_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pydantic-core-2.33.2-py312hd3c0895_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pyedr-0.8.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pygments-2.19.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pyjwt-2.11.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyobjc-core-12.1-py312h19bbe71_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyobjc-framework-cocoa-12.1-py312h1de3e18_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pyparsing-3.3.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pysocks-1.7.1-pyha55dd90_7.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pytables-3.11.1-py312h53cfef5_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pytest-9.0.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/python-3.12.12-h18782d2_1_cpython.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-constraint-1.4.0-pyhff2d567_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-dateutil-2.9.0.post0-pyhe01879c_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-fastjsonschema-2.21.2-pyhe01879c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-gil-3.12.13-hd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-json-logger-2.0.7-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python-tzdata-2025.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/python_abi-3.12-8_cp312.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pytng-0.3.4-py312he040d82_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pytorch-2.8.0-cpu_generic_py312_h05d1414_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pytorch-lightning-2.6.1-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pytz-2025.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pyviz_comms-3.0.6-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyyaml-6.0.3-py312h04c11ed_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/pyzmq-27.1.0-py312h022ad19_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/qcelemental-0.29.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/qcportal-0.63-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/qhull-2020.2-h420ef59_5.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/rdkit-2025.09.5-py312h7e68b95_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/readline-8.3-h46df422_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/referencing-0.37.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/regex-2026.2.28-py312h2bbb03f_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/reportlab-4.4.10-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/requests-2.32.5-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/rfc3339-validator-0.1.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/rfc3986-validator-0.1.1-pyh9f0ad1d_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/rfc3987-syntax-1.1.0-pyhe01879c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/rich-14.3.3-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/rlpycairo-0.4.0-pyh6c17108_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/rpds-py-0.30.0-py312h6ef9ec0_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/scikit-learn-1.8.0-np2py312he5ca3e3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/scipy-1.17.1-py312h0f234b1_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/seaborn-0.13.2-hd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/seaborn-base-0.13.2-pyhd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/send2trash-2.1.0-pyh5552912_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/setuptools-82.0.1-pyh332efcf_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/setuptools-scm-9.2.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/setuptools_scm-9.2.2-hd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/six-1.17.0-pyhe01879c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/sleef-3.9.0-hb028509_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/snappy-1.2.2-hada39a4_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/sniffio-1.3.1-pyhd8ed1ab_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/soupsieve-2.8.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/sqlalchemy-2.0.48-py312hb3ab3e3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/stack_data-0.6.3-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/statsmodels-0.14.6-py312ha11c99a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/sympy-1.14.0-pyh2585a3b_106.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tabulate-0.10.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/terminado-0.18.1-pyhc90fa1f_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/threadpoolctl-3.6.0-pyhecae5ae_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tidynamics-1.1.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tinycss2-1.4.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tinydb-4.8.2-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/tk-8.6.13-h010d191_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tomli-2.4.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/torchmetrics-1.8.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/tornado-6.5.4-py312h4409184_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tqdm-4.67.3-pyh8f84b5b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/traitlets-5.14.3-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/typing-extensions-4.15.0-h396c80c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/typing-inspection-0.4.2-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/typing_extensions-4.15.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/typing_utils-0.1.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/tzdata-2025c-hc9c84f9_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/uc-micro-py-2.0.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/unicodedata2-17.0.1-py312h2bbb03f_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/unidecode-1.4.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/uri-template-1.3.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/urllib3-2.6.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/validators-0.35.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/wcwidth-0.6.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/webcolors-25.10.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/webencodings-0.5.1-pyhd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/websocket-client-1.9.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/wheel-0.46.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/widgetsnbextension-4.0.15-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/xmltodict-1.0.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libice-1.1.2-h5505292_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libsm-1.2.6-h5505292_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libx11-1.8.13-hf948f5a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxau-1.0.12-hc919400_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxdmcp-1.1.5-hc919400_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxext-1.3.7-h84a0fba_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/xorg-libxt-1.3.1-h5505292_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/xyzservices-2025.11.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/yaml-0.2.5-h925e9cb_3.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zeromq-4.3.5-h888dc83_9.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/zipp-3.23.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-1.3.1-h8359307_2.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-ng-2.3.3-hed4e4f5_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zstandard-0.25.0-py312h37e1c23_1.conda
      - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zstd-1.5.7-hbf9d68e_6.conda
      - pypi: ./
  dev:
    channels:
    - url: https://conda.anaconda.org/conda-forge/
    - url: https://conda.anaconda.org/openeye/
    indexes:
    - https://pypi.org/simple
    options:
      pypi-prerelease-mode: if-necessary-or-explicit
    packages:
      linux-64:
      - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-7_kmp_llvm.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/_python_abi3_support-1.0-hd8ed1ab_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/ambertools-24.8-cuda_None_nompi_py312hbe1986e_101.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/annotated-types-0.7.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/anyio-4.12.1-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/apsw-3.51.2.0-py312h4c3975b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/argcomplete-3.6.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/argon2-cffi-25.1.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/argon2-cffi-bindings-25.1.0-py312h4c3975b_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/arpack-3.9.1-nompi_hf03ea27_102.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/arrow-1.4.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/asttokens-3.0.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/async-lru-2.2.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/attrs-25.4.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/babel-2.18.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/backports.zstd-1.3.0-py312h90b7ffd_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/basis_set_exchange-0.12-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/beautifulsoup4-4.14.3-pyha770c72_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/biopython-1.86-py312h4c3975b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-6.3.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bleach-with-css-6.3.0-hbca2aae_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/blosc-1.21.6-he440d0b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bokeh-3.8.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-1.2.0-hed03a55_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-bin-1.2.0-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-python-1.2.0-py312hdb49522_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/bson-0.5.10-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/bzip2-1.0.8-hda65f42_9.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/c-ares-1.34.6-hb03c661_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/c-blosc2-2.23.1-hc31b594_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ca-certificates-2026.2.25-hbd8a1cb_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cached-property-1.5.2-hd8ed1ab_1.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/cached_property-1.5.2-pyha770c72_1.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/cachetools-7.0.5-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.4-h3394656_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/certifi-2026.2.25-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/cffi-2.0.0-py312h460c074_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cfgv-3.5.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/cftime-1.6.5-py312h4f23490_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/charset-normalizer-3.4.5-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/click-8.3.1-pyh8f84b5b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/click-option-group-0.5.6-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/colorama-0.4.6-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/comm-0.2.3-pyhe01879c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/contourpy-1.3.3-py312h0a2e395_4.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/coverage-7.13.4-py312h8a5da7c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cpython-3.12.13-py312hd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/cuda-nvrtc-13.2.51-hecca717_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cuda-version-13.2-he2cc418_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/cycler-0.12.1-pyhcf101f3_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/cyrus-sasl-2.1.28-hd9c7081_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/debugpy-1.8.20-py312h8285ef7_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/decorator-5.2.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/defusedxml-0.7.1-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/distlib-0.4.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/exceptiongroup-1.3.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/execnet-2.1.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/executing-2.2.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/fftw-3.3.10-nompi_h3b011a4_112.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/filelock-3.25.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/flexcache-0.3-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/flexparser-0.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-dejavu-sans-mono-2.37-hab24e00_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-inconsolata-3.000-h77eed37_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-source-code-pro-2.038-h77eed37_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/font-ttf-ubuntu-0.83-h77eed37_3.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/fontconfig-2.17.1-h27c8c51_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-ecosystem-1-0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/fonts-conda-forge-1-hc364b38_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/fonttools-4.62.0-py312h8a5da7c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/fqdn-1.5.1-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/freetype-2.14.2-ha770c72_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/freetype-py-2.3.0-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/fsspec-2026.2.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/gmp-6.3.0-hac33072_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/gmpy2-2.3.0-py312hcaba1f9_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/greenlet-3.3.2-py312h8285ef7_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/griddataformats-1.1.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/gsd-4.2.0-h31e983c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/h11-0.16.0-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/h2-4.3.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/h5py-3.15.1-nompi_py312ha4f8f14_101.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/hdf4-4.2.15-h2a13503_7.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/hdf5-1.14.6-nompi_h19486de_106.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/hpack-4.1.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/httpcore-1.0.9-pyh29332c3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/httpx-0.28.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/hyperframe-6.1.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/icu-75.1-he02047a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/identify-2.6.17-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/idna-3.11-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/importlib-metadata-8.7.0-pyhe01879c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/importlib_resources-6.5.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/iniconfig-2.3.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipdb-0.13.13-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipykernel-7.2.0-pyha191276_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipython-9.11.0-pyhecfbec7_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipython_pygments_lexers-1.1.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/ipywidgets-8.1.8-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/isoduration-20.11.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jedi-0.19.2-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jinja2-3.1.6-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/joblib-1.5.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/json5-0.13.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonpointer-3.0.0-pyhcf101f3_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-4.26.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-specifications-2025.9.1-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jsonschema-with-format-nongpl-4.26.0-hcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter-lsp-2.3.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_client-8.8.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_core-5.9.1-pyhc90fa1f_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_events-0.12.0-pyhe01879c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server-2.17.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyter_server_terminals-0.5.4-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab-4.5.5-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_pygments-0.3.0-pyhd8ed1ab_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_server-2.28.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/jupyterlab_widgets-3.0.16-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/keyutils-1.6.3-hb9d3cd8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/kiwisolver-1.5.0-py312h0a2e395_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/krb5-1.21.3-h659f571_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/lark-1.3.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/lcms2-2.18-h0c24ade_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/ld_impl_linux-64-2.45.1-default_hbd61a6d_101.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/lerc-4.1.0-hdb68285_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libabseil-20250512.1-cxx17_hba17884_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libaec-1.1.5-h088129d_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libblas-3.11.0-5_h5875eb1_mkl.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libboost-1.86.0-hed09d94_4.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libboost-python-1.86.0-py312hf890105_5.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libbrotlicommon-1.2.0-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libbrotlidec-1.2.0-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libbrotlienc-1.2.0-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libcblas-3.11.0-5_hfef963f_mkl.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libcufft-12.2.0.37-hecca717_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libcurl-8.18.0-h4e3cde8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libdeflate-1.25-h17f619e_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libedit-3.1.20250104-pl5321h7949ede_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libev-4.33-hd590300_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libexpat-2.7.4-hecca717_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libffi-3.5.2-h3435931_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libfreetype-2.14.2-ha770c72_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libfreetype6-2.14.2-h73754d4_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-15.2.0-he0feb66_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgcc-ng-15.2.0-h69a702a_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgfortran-15.2.0-h69a702a_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgfortran5-15.2.0-h68bc16d_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libglib-2.86.4-h6548e54_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libgomp-15.2.0-he0feb66_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libhwloc-2.12.1-default_h3d81e11_1000.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libiconv-1.18-h3b78370_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libjpeg-turbo-3.1.2-hb03c661_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/liblapack-3.11.0-5_h5e43f62_mkl.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/liblzma-5.8.2-hb03c661_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libnetcdf-4.9.2-nompi_h21f7587_118.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libnghttp2-1.67.0-had1ee68_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libnsl-2.0.1-hb9d3cd8_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libntlm-1.8-hb9d3cd8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libpng-1.6.55-h421ea60_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libpq-18.1-h5c52fec_2.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libprotobuf-6.31.1-h49aed37_4.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/librdkit-2025.09.5-h3c5c181_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libsodium-1.0.20-h4ab18f5_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libsqlite-3.51.1-h0c1763c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libssh2-1.11.1-hcf80075_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-15.2.0-h934c35e_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libstdcxx-ng-15.2.0-hdf11a46_18.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libtiff-4.7.1-h9d88235_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libtorch-2.8.0-cpu_mkl_h09b866c_102.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libuuid-2.41.3-h5347b49_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libuv-1.51.0-hb03c661_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libwebp-base-1.6.0-hd42ef1d_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libxcb-1.17.0-h8a09558_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libxcrypt-4.4.36-hd590300_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libxml2-2.13.9-h04c0eec_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libxslt-1.1.43-h7a3aeb2_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libzip-1.11.2-h6991a6a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/libzlib-1.3.1-hb9d3cd8_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/lightning-utilities-0.15.3-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/linkify-it-py-2.1.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/llvm-openmp-22.1.0-h4922eb0_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/lxml-6.0.2-py312h70dad80_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/lz4-c-1.10.0-h5888daf_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/markdown-3.10.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/markdown-it-py-4.0.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/markupsafe-3.0.3-py312h8a5da7c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/matplotlib-base-3.10.8-py312he3d6523_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/matplotlib-inline-0.2.1-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mda-xdrlib-0.2.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/mdanalysis-2.10.0-py312hf79963d_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mdit-py-plugins-0.5.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/mdtraj-1.11.1-np2py312h8baca0b_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mdurl-0.1.2-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mistune-3.2.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/mkl-2025.3.0-h0e700b2_463.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mmtf-python-1.1.3-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/linux-64/mpc-1.3.1-h24ddda3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/mpfr-4.2.1-h90cbb55_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mpmath-1.4.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mrcfile-1.5.4-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/msgpack-python-1.1.2-py312hd9148b4_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/munkres-1.1.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/mypy-1.19.1-py312h4c3975b_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/mypy_extensions-1.1.0-pyha770c72_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/narwhals-2.17.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nbclient-0.10.4-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nbconvert-core-7.17.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nbformat-5.10.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/ncurses-6.5-h2d0b736_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nest-asyncio-1.6.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/netcdf-fortran-4.6.2-nompi_h5aa5643_101.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/netcdf4-1.7.2-nompi_py312hdd76c12_103.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/networkx-3.6.1-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/nodeenv-1.10.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/notebook-7.5.4-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/notebook-shim-0.2.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/numexpr-2.14.1-mkl_py312h4fb851f_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/numpy-2.2.6-py312h72c5963_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/numpy-typing-compat-20251206.2.2-pyh0567824_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/ocl-icd-2.3.3-hb9d3cd8_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/ocl-icd-system-1.0.0-1.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/linux-64/opencl-headers-2025.06.13-h5888daf_0.conda
      - conda: https://conda.anaconda.org/openeye/linux-64/openeye-toolkits-2025.2.2-py312_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-amber-ff-ports-2025.09.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-forcefields-2026.01.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-interchange-0.5.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-interchange-base-0.5.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-0.5.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-base-0.5.4-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-nagl-models-2025.9.0-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-qcsubmit-0.57.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-toolkit-0.18.0-pyhd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-toolkit-base-0.18.0-pyhd8ed1ab_3.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-units-0.3.2-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openff-utilities-0.1.16-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/openjpeg-2.5.4-h55fea9a_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/openldap-2.6.10-he970967_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/openmm-8.4.0-py312ha28768a_2.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/openmmforcefields-0.15.1-pyhcf101f3_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/openssl-3.6.1-h35e630c_1.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/optree-0.19.0-py312hd9148b4_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/optype-0.17.0-pyhc364b38_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/optype-numpy-0.17.0-pyhada4073_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/overrides-7.7.0-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/packaging-26.0-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pandas-2.3.3-py312hf79963d_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pandas-stubs-3.0.0.260204-pyhd8ed1ab_1.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pandocfilters-1.5.0-pyhd8ed1ab_0.tar.bz2
      - conda: https://conda.anaconda.org/conda-forge/noarch/panel-1.8.9-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/param-2.3.2-pyhc455866_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/parmed-4.3.1-py312h7ab193c_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/parso-0.8.6-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/pathspec-1.0.4-pyhd8ed1ab_0.conda
      - conda: https://conda.anaconda.org/conda-forge/noarch/patsy-1.0.2-pyhcf101f3_0.conda
      - conda: https://conda.anaconda.org/conda-forge/linux-64/pcre2-10.47-haa7fec5_0.conda