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1 parent 17f5a9d commit 2366189Copy full SHA for 2366189
devtools/conda-envs/examples_env.yml
@@ -18,7 +18,6 @@ dependencies:
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- openff-nagl
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# - openff-fragmenter
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- openff-qcsubmit
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- - openff-recharge
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- openmmforcefields ~=0.14.2
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- gromacs >=2021=nompi*
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- lammps
@@ -27,6 +26,11 @@ dependencies:
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- parmed
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- nglview ~=3.0.6
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- psi4
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- - pyarrow
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# torchdata.datapipes was removed in 0.10.0
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- torchdata<=0.9.0
+ # NAGL training dependencies
+ # hopefully will be replaced by openff-nagl-training in future
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+ - pyarrow
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+ - openff-recharge
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+ - dask-jobqueue
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+ - dgl
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