@@ -44,22 +44,22 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
4444
4545<a href =" #contents " ><img align =" right " width =" 15 " height =" 15 " src =" https://git.io/JtehR " alt =" Back to top " ></a >
4646
47- <details ><summary ><b ><a href =" https://github.com/deepmodeling/deepmd-kit " >DeePMD-kit</a ></b > (🥇28 · ⭐ 1.4K ) - A deep learning package for many-body potential energy representation and molecular dynamics. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
47+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/deepmd-kit " >DeePMD-kit</a ></b > (🥇28 · ⭐ 1.5K ) - A deep learning package for many-body potential energy representation and molecular dynamics. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
4848
49- - [ GitHub] ( https://github.com/deepmodeling/deepmd-kit ) (👨💻 69 · 🔀 480 · 📥 39K · 📦 16 · 📋 760 - 10 % open · ⏱️ 06.07 .2024):
49+ - [ GitHub] ( https://github.com/deepmodeling/deepmd-kit ) (👨💻 69 · 🔀 480 · 📥 40K · 📦 16 · 📋 770 - 11 % open · ⏱️ 17.09 .2024):
5050
5151 ```
5252 git clone https://github.com/deepmodeling/deepmd-kit
5353 ```
54- - [ PyPi] ( https://pypi.org/project/deepmd-kit ) (📥 2.1K / month):
54+ - [ PyPi] ( https://pypi.org/project/deepmd-kit ) (📥 2.6K / month):
5555 ```
5656 pip install deepmd-kit
5757 ```
5858- [ Conda] ( https://anaconda.org/conda-forge/deepmd-kit ) (📥 1M · ⏱️ 27.07.2024):
5959 ```
6060 conda install -c conda-forge deepmd-kit
6161 ```
62- - [ npm] ( https://www.npmjs.com/package/deepmd-kit ) (📥 13 / month):
62+ - [ npm] ( https://www.npmjs.com/package/deepmd-kit ) (📥 11 / month):
6363 ```
6464 npm install deepmd-kit
6565 ```
@@ -70,32 +70,32 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
7070</details >
7171<details ><summary ><b ><a href =" https://github.com/deepmodeling/abacus-develop " >ABACUS</a ></b > (🥇26 · ⭐ 160) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
7272
73- - [ GitHub] ( https://github.com/deepmodeling/abacus-develop ) (👨💻 120 · 🔀 130 · 📋 1.8K - 11% open · ⏱️ 11 .09.2024):
73+ - [ GitHub] ( https://github.com/deepmodeling/abacus-develop ) (👨💻 120 · 🔀 130 · 📋 1.9K - 11% open · ⏱️ 19 .09.2024):
7474
7575 ```
7676 git clone https://github.com/deepmodeling/abacus-develop
7777 ```
78- - [ Conda] ( https://anaconda.org/conda-forge/abacus ) (📥 170K · ⏱️ 26.08.2024):
78+ - [ Conda] ( https://anaconda.org/conda-forge/abacus ) (📥 180K · ⏱️ 26.08.2024):
7979 ```
8080 conda install -c conda-forge abacus
8181 ```
8282</details >
8383<details ><summary ><b ><a href =" https://github.com/deepmodeling/dpdata " >dpdata</a ></b > (🥇24 · ⭐ 200) - A Python package for manipulating atomistic data of software in computational science. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
8484
85- - [ GitHub] ( https://github.com/deepmodeling/dpdata ) (👨💻 60 · 🔀 120 · 📦 120 · 📋 99 - 18 % open · ⏱️ 03.09.2024):
85+ - [ GitHub] ( https://github.com/deepmodeling/dpdata ) (👨💻 60 · 🔀 120 · 📦 120 · 📋 100 - 19 % open · ⏱️ 03.09.2024):
8686
8787 ```
8888 git clone https://github.com/deepmodeling/dpdata
8989 ```
90- - [ PyPi] ( https://pypi.org/project/dpdata ) (📥 37K / month):
90+ - [ PyPi] ( https://pypi.org/project/dpdata ) (📥 39K / month):
9191 ```
9292 pip install dpdata
9393 ```
9494- [ Conda] ( https://anaconda.org/conda-forge/dpdata ) (📥 77K · ⏱️ 03.09.2024):
9595 ```
9696 conda install -c conda-forge dpdata
9797 ```
98- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpdata ) (📥 630 · ⏱️ 02.06.2023):
98+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpdata ) (📥 640 · ⏱️ 02.06.2023):
9999 ```
100100 docker pull dptechnology/dpdata
101101 ```
@@ -123,7 +123,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
123123 ```
124124 git clone https://github.com/deepmodeling/dpdispatcher
125125 ```
126- - [ PyPi] ( https://pypi.org/project/dpdispatcher ) (📥 2.6K / month):
126+ - [ PyPi] ( https://pypi.org/project/dpdispatcher ) (📥 2.5K / month):
127127 ```
128128 pip install dpdispatcher
129129 ```
@@ -136,25 +136,25 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
136136 docker pull dptechnology/dpdispatcher
137137 ```
138138</details >
139- <details ><summary ><b ><a href =" https://github.com/deepmodeling/reacnetgenerator " >reacnetgenerator</a ></b > (🥈19 · ⭐ 64 · 📉 ) - an automatic reaction network generator for reactive molecular dynamics simulation. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
139+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/reacnetgenerator " >reacnetgenerator</a ></b > (🥈20 · ⭐ 64 · 📈 ) - an automatic reaction network generator for reactive molecular dynamics simulation. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
140140
141- - [ GitHub] ( https://github.com/deepmodeling/reacnetgenerator ) (👨💻 18 · 🔀 37 · 📦 2 · 📋 120 - 4% open · ⏱️ 09.08 .2024):
141+ - [ GitHub] ( https://github.com/deepmodeling/reacnetgenerator ) (👨💻 18 · 🔀 37 · 📦 2 · 📋 120 - 4% open · ⏱️ 16.09 .2024):
142142
143143 ```
144144 git clone https://github.com/deepmodeling/reacnetgenerator
145145 ```
146- - [ PyPi] ( https://pypi.org/project/reacnetgenerator ) (📥 2.8K / month):
146+ - [ PyPi] ( https://pypi.org/project/reacnetgenerator ) (📥 3.9K / month):
147147 ```
148148 pip install reacnetgenerator
149149 ```
150- - [ Conda] ( https://anaconda.org/conda-forge/reacnetgenerator ) (📥 400K · ⏱️ 10.05.2024):
150+ - [ Conda] ( https://anaconda.org/conda-forge/reacnetgenerator ) (📥 410K · ⏱️ 10.05.2024):
151151 ```
152152 conda install -c conda-forge reacnetgenerator
153153 ```
154154</details >
155155<details ><summary ><b ><a href =" https://github.com/deepmodeling/dflow " >dflow</a ></b > (🥈19 · ⭐ 62) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
156156
157- - [ GitHub] ( https://github.com/deepmodeling/dflow ) (👨💻 22 · 🔀 25 · 📋 35 - 40% open · ⏱️ 11 .09.2024):
157+ - [ GitHub] ( https://github.com/deepmodeling/dflow ) (👨💻 22 · 🔀 25 · 📋 35 - 40% open · ⏱️ 14 .09.2024):
158158
159159 ```
160160 git clone https://github.com/deepmodeling/dflow
@@ -167,7 +167,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
167167 ```
168168 conda install -c conda-forge dflow
169169 ```
170- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dflow ) (📥 7.7K · ⏱️ 11 .09.2024):
170+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dflow ) (📥 7.8K · ⏱️ 14 .09.2024):
171171 ```
172172 docker pull dptechnology/dflow
173173 ```
@@ -179,11 +179,11 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
179179 ```
180180 git clone https://github.com/deepmodeling/dargs
181181 ```
182- - [ PyPi] ( https://pypi.org/project/dargs ) (📥 61K / month):
182+ - [ PyPi] ( https://pypi.org/project/dargs ) (📥 64K / month):
183183 ```
184184 pip install dargs
185185 ```
186- - [ Conda] ( https://anaconda.org/conda-forge/dargs ) (📥 30K · ⏱️ 15.07.2024):
186+ - [ Conda] ( https://anaconda.org/conda-forge/dargs ) (📥 31K · ⏱️ 15.07.2024):
187187 ```
188188 conda install -c conda-forge dargs
189189 ```
@@ -207,24 +207,24 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
207207 ```
208208 pip install dpgen2
209209 ```
210- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpgen2 ) (📥 3.5K · ⏱️ 12.09.2024):
210+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpgen2 ) (📥 3.6K · ⏱️ 12.09.2024):
211211 ```
212212 docker pull dptechnology/dpgen2
213213 ```
214214</details >
215215<details ><summary ><b ><a href =" https://github.com/deepmodeling/DeePTB " >DeePTB</a ></b > (🥈16 · ⭐ 46) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
216216
217- - [ GitHub] ( https://github.com/deepmodeling/DeePTB ) (👨💻 10 · 🔀 15 · 📦 1 · 📋 35 - 20% open · ⏱️ 27.08 .2024):
217+ - [ GitHub] ( https://github.com/deepmodeling/DeePTB ) (👨💻 10 · 🔀 15 · 📦 1 · 📋 35 - 20% open · ⏱️ 19.09 .2024):
218218
219219 ```
220220 git clone https://github.com/deepmodeling/DeePTB
221221 ```
222- - [ PyPi] ( https://pypi.org/project/dptb ) (📥 320 / month):
222+ - [ PyPi] ( https://pypi.org/project/dptb ) (📥 190 / month):
223223 ```
224224 pip install dptb
225225 ```
226226</details >
227- <details ><summary ><b ><a href =" https://github.com/deepmodeling/APEX " >APEX</a ></b > (🥈15 · ⭐ 21 · 📈 ) - APEX: Alloy Properties EXplorer using simulations. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
227+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/APEX " >APEX</a ></b > (🥈15 · ⭐ 21) - APEX: Alloy Properties EXplorer using simulations. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
228228
229229- [ GitHub] ( https://github.com/deepmodeling/APEX ) (👨💻 6 · 🔀 16 · 📦 1 · ⏱️ 27.08.2024):
230230
@@ -243,14 +243,14 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
243243 ```
244244 git clone https://github.com/deepmodeling/DMFF
245245 ```
246- - [ Conda] ( https://anaconda.org/conda-forge/dmff ) (📥 900 · ⏱️ 06.01.2024):
246+ - [ Conda] ( https://anaconda.org/conda-forge/dmff ) (📥 930 · ⏱️ 06.01.2024):
247247 ```
248248 conda install -c conda-forge dmff
249249 ```
250250</details >
251- <details ><summary ><b ><a href =" https://github.com/deepmodeling/jax-fem " >JAX-FEM</a ></b > (🥈13 · ⭐ 230 ) - Differentiable Finite Element Method with JAX. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
251+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/jax-fem " >JAX-FEM</a ></b > (🥈13 · ⭐ 240 ) - Differentiable Finite Element Method with JAX. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
252252
253- - [ GitHub] ( https://github.com/deepmodeling/jax-fem ) (👨💻 7 · 🔀 35 · 📦 2 · 📋 29 - 65 % open · ⏱️ 04 .09.2024):
253+ - [ GitHub] ( https://github.com/deepmodeling/jax-fem ) (👨💻 8 · 🔀 38 · 📦 2 · 📋 30 - 66 % open · ⏱️ 18 .09.2024):
254254
255255 ```
256256 git clone https://github.com/deepmodeling/jax-fem
@@ -260,19 +260,19 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
260260 pip install jax-fem
261261 ```
262262</details >
263- <details ><summary ><b ><a href =" https://github.com/deepmodeling/rid-kit " >rid-kit</a ></b > (🥈13 · ⭐ 44 · 📈 ) - Reinforced dynamics. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
263+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/rid-kit " >rid-kit</a ></b > (🥈13 · ⭐ 44) - Reinforced dynamics. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
264264
265265- [ GitHub] ( https://github.com/deepmodeling/rid-kit ) (👨💻 14 · 🔀 22 · 📥 140 · 📦 1 · 📋 4 - 25% open · ⏱️ 27.06.2024):
266266
267267 ```
268268 git clone https://github.com/deepmodeling/rid-kit
269269 ```
270- - [ PyPi] ( https://pypi.org/project/rid-kit ) (📥 160 / month):
270+ - [ PyPi] ( https://pypi.org/project/rid-kit ) (📥 180 / month):
271271 ```
272272 pip install rid-kit
273273 ```
274274</details >
275- <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpgui " >DP-GUI</a ></b > (🥈13 · ⭐ 7 · 📉 ) - A web-based GUI for user inputs. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
275+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpgui " >DP-GUI</a ></b > (🥈13 · ⭐ 7) - A web-based GUI for user inputs. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
276276
277277- [ GitHub] ( https://github.com/deepmodeling/dpgui ) (👨💻 4 · 🔀 5 · 📦 8 · ⏱️ 11.09.2024):
278278
@@ -291,47 +291,47 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
291291 ```
292292 git clone https://github.com/deepmodeling/deepmodeling_sphinx
293293 ```
294- - [ PyPi] ( https://pypi.org/project/deepmodeling_sphinx ) (📥 1.9K / month):
294+ - [ PyPi] ( https://pypi.org/project/deepmodeling_sphinx ) (📥 2K / month):
295295 ```
296296 pip install deepmodeling_sphinx
297297 ```
298298</details >
299- <details ><summary ><b ><a href =" https://github.com/deepmodeling/GPUMD " >GPUMD</a ></b > (🥉11 · ⭐ 3 · 🐣) - Graphics Processing Units Molecular Dynamics. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
300-
301- - [ GitHub] ( https://github.com/deepmodeling/GPUMD ) (👨💻 34 · ⏱️ 03.09.2024):
302-
303- ```
304- git clone https://github.com/deepmodeling/GPUMD
305- ```
306- </details >
307- <details ><summary ><b ><a href =" https://github.com/deepmodeling/deepks-kit " >DeePKS-kit</a ></b > (🥉10 · ⭐ 96) - a package for developing machine learning-based chemically accurate energy and density functional models. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
299+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/deepks-kit " >DeePKS-kit</a ></b > (🥉10 · ⭐ 98) - a package for developing machine learning-based chemically accurate energy and density functional models. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
308300
309301- [ GitHub] ( https://github.com/deepmodeling/deepks-kit ) (👨💻 7 · 🔀 35 · 📋 19 - 26% open · ⏱️ 13.04.2024):
310302
311303 ```
312304 git clone https://github.com/deepmodeling/deepks-kit
313305 ```
314306</details >
315- <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpti " >dpti</a ></b > (🥉10 · ⭐ 19 ) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
307+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpti " >dpti</a ></b > (🥉10 · ⭐ 20 ) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
316308
317309- [ GitHub] ( https://github.com/deepmodeling/dpti ) (👨💻 19 · 🔀 20 · 📦 1 · ⏱️ 14.08.2024):
318310
319311 ```
320312 git clone https://github.com/deepmodeling/dpti
321313 ```
322- - [ PyPi] ( https://pypi.org/project/dpti ) (📥 71 / month):
314+ - [ PyPi] ( https://pypi.org/project/dpti ) (📥 78 / month):
323315 ```
324316 pip install dpti
325317 ```
326318</details >
319+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/GPUMD " >GPUMD</a ></b > (🥉10 · ⭐ 3 · 🐣) - Graphics Processing Units Molecular Dynamics. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
320+
321+ - [ GitHub] ( https://github.com/deepmodeling/GPUMD ) (👨💻 34 · ⏱️ 03.09.2024):
322+
323+ ```
324+ git clone https://github.com/deepmodeling/GPUMD
325+ ```
326+ </details >
327327<details ><summary ><b ><a href =" https://github.com/deepmodeling/args " >args</a ></b > (🥉9 · ⭐ 2) - DeepModeling dargs arguments generation. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
328328
329329- [ GitHub] ( https://github.com/deepmodeling/args ) (👨💻 3 · 🔀 2 · 📦 5 · ⏱️ 02.09.2024):
330330
331331 ```
332332 git clone https://github.com/deepmodeling/args
333333 ```
334- - [ npm] ( https://www.npmjs.com/package/@deepmodeling/args ) (📥 62 / month):
334+ - [ npm] ( https://www.npmjs.com/package/@deepmodeling/args ) (📥 78 / month):
335335 ```
336336 npm install @deepmodeling/args
337337 ```
@@ -343,7 +343,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
343343 ```
344344 git clone https://github.com/deepmodeling/fpop
345345 ```
346- - [ PyPi] ( https://pypi.org/project/fpop ) (📥 2.5K / month):
346+ - [ PyPi] ( https://pypi.org/project/fpop ) (📥 2.2K / month):
347347 ```
348348 pip install fpop
349349 ```
@@ -363,7 +363,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
363363 ```
364364 git clone https://github.com/deepmodeling/Uni-Fold
365365 ```
366- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/unifold ) (📥 710 · ⏱️ 08.01.2024):
366+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/unifold ) (📥 720 · ⏱️ 08.01.2024):
367367 ```
368368 docker pull dptechnology/unifold
369369 ```
@@ -375,7 +375,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
375375 ```
376376 git clone https://github.com/deepmodeling/fealpy
377377 ```
378- - [ PyPi] ( https://pypi.org/project/fealpy ) (📥 110 / month):
378+ - [ PyPi] ( https://pypi.org/project/fealpy ) (📥 130 / month):
379379 ```
380380 pip install fealpy
381381 ```
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