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<details ><summary ><b ><a href =" https://github.com/deepmodeling/deepmd-kit " >DeePMD-kit</a ></b > (🥇29 · ⭐ 1.7K) - 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 >
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- - [ GitHub] ( https://github.com/deepmodeling/deepmd-kit ) (👨💻 79 · 🔀 530 · 📥 56K · 📦 35 · 📋 900 - 9% open · ⏱️ 11.06.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/deepmd-kit ) (👨💻 79 · 🔀 540 · 📥 57K · 📦 36 · 📋 900 - 9% open · ⏱️ 11.06.2025):
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```
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git clone https://github.com/deepmodeling/deepmd-kit
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```
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- - [ PyPi] ( https://pypi.org/project/deepmd-kit ) (📥 18K / month):
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+ - [ PyPi] ( https://pypi.org/project/deepmd-kit ) (📥 14K / month):
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```
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pip install deepmd-kit
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```
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- [ Conda] ( https://anaconda.org/conda-forge/deepmd-kit ) (📥 2M · ⏱️ 11.06.2025):
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```
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conda install -c conda-forge deepmd-kit
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```
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- - [ npm] ( https://www.npmjs.com/package/deepmd-kit ) (📥 30 / month):
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+ - [ npm] ( https://www.npmjs.com/package/deepmd-kit ) (📥 28 / month):
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```
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npm install deepmd-kit
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```
@@ -68,9 +68,9 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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docker pull deepmodeling/deepmd-kit
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/abacus-develop " >ABACUS</a ></b > (🥇24 · ⭐ 200 ) - 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 >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/abacus-develop " >ABACUS</a ></b > (🥇24 · ⭐ 210 ) - 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 >
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- - [ GitHub] ( https://github.com/deepmodeling/abacus-develop ) (👨💻 130 · 🔀 140 · 📋 2.3K - 5% open · ⏱️ 14 .07.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/abacus-develop ) (👨💻 130 · 🔀 140 · 📋 2.3K - 5% open · ⏱️ 23 .07.2025):
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```
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git clone https://github.com/deepmodeling/abacus-develop
@@ -87,7 +87,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
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git clone https://github.com/deepmodeling/dpgen
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```
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- - [ PyPi] ( https://pypi.org/project/dpgen ) (📥 610 / month):
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```
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pip install dpgen
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```
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git clone https://github.com/deepmodeling/dpdata
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```
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- - [ PyPi] ( https://pypi.org/project/dpdata ) (📥 28K / month):
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```
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pip install dpdata
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@@ -118,12 +118,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/dpdispatcher " >dpdispatcher</a ></b > (🥈21 · ⭐ 51) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/dpdispatcher ) (👨💻 46 · 🔀 54 · 📦 65 · 📋 86 - 23% open · ⏱️ 24.06.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/dpdispatcher ) (👨💻 46 · 🔀 55 · 📦 65 · 📋 86 - 23% open · ⏱️ 24.06.2025):
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```
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git clone https://github.com/deepmodeling/dpdispatcher
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```
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- - [ PyPi] ( https://pypi.org/project/dpdispatcher ) (📥 1.4K / month):
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```
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pip install dpdispatcher
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```
@@ -136,14 +136,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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docker pull dptechnology/dpdispatcher
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/reacnetgenerator " >reacnetgenerator</a ></b > (🥈20 · ⭐ 90 ) - an automatic reaction network generator for reactive molecular dynamics simulation. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/reacnetgenerator " >reacnetgenerator</a ></b > (🥈20 · ⭐ 91 ) - an automatic reaction network generator for reactive molecular dynamics simulation. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/reacnetgenerator ) (👨💻 19 · 🔀 41 · 📦 3 · 📋 130 - 5% open · ⏱️ 20.06.2025):
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```
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git clone https://github.com/deepmodeling/reacnetgenerator
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```
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- - [ PyPi] ( https://pypi.org/project/reacnetgenerator ) (📥 2.8K / month):
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```
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pip install reacnetgenerator
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```
@@ -154,7 +154,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/dflow " >dflow</a ></b > (🥈19 · ⭐ 71) - 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 >
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- - [ GitHub] ( https://github.com/deepmodeling/dflow ) (👨💻 23 · 🔀 28 · 📋 36 - 38% open · ⏱️ 08 .07.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/dflow ) (👨💻 23 · 🔀 28 · 📋 36 - 38% open · ⏱️ 20 .07.2025):
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```
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git clone https://github.com/deepmodeling/dflow
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```
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conda install -c conda-forge dflow
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```
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- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dflow ) (📥 13K · ⏱️ 08 .07.2025):
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+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dflow ) (📥 13K · ⏱️ 20 .07.2025):
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```
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docker pull dptechnology/dflow
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```
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/deepflame-dev " >DeepFlame</a ></b > (🥈18 · ⭐ 180) - A deep learning empowered open-source platform for reacting flow simulations. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/deepflame-dev ) (👨💻 28 · 🔀 69 · 📋 51 - 43 % open · ⏱️ 26.06 .2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/deepflame-dev ) (👨💻 29 · 🔀 70 · 📋 51 - 41 % open · ⏱️ 23.07 .2025):
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```
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git clone https://github.com/deepmodeling/deepflame-dev
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/DeePTB " >DeePTB</a ></b > (🥈18 · ⭐ 82 · 📈 ) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/DeePTB " >DeePTB</a ></b > (🥈18 · ⭐ 83 ) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/DeePTB ) (👨💻 11 · 🔀 21 · 📦 4 · 📋 51 - 33% open · ⏱️ 12 .07.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/DeePTB ) (👨💻 11 · 🔀 21 · 📦 4 · 📋 51 - 33% open · ⏱️ 20 .07.2025):
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```
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git clone https://github.com/deepmodeling/DeePTB
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```
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- - [ PyPi] ( https://pypi.org/project/dptb ) (📥 170 / month):
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+ - [ PyPi] ( https://pypi.org/project/dptb ) (📥 180 / month):
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```
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pip install dptb
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```
@@ -199,7 +199,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
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git clone https://github.com/deepmodeling/dargs
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```
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- - [ PyPi] ( https://pypi.org/project/dargs ) (📥 50K / month):
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+ - [ PyPi] ( https://pypi.org/project/dargs ) (📥 39K / month):
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```
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pip install dargs
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```
@@ -208,26 +208,26 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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conda install -c conda-forge dargs
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/jax-fem " >JAX-FEM</a ></b > (🥈16 · ⭐ 440 · 📈 ) - Differentiable Finite Element Method with JAX. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/jax-fem " >JAX-FEM</a ></b > (🥈16 · ⭐ 440) - Differentiable Finite Element Method with JAX. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/jax-fem ) (👨💻 10 · 🔀 74 · 📦 3 · 📋 55 - 56% open · ⏱️ 14 .07.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/jax-fem ) (👨💻 10 · 🔀 75 · 📦 3 · 📋 55 - 56% open · ⏱️ 20 .07.2025):
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```
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git clone https://github.com/deepmodeling/jax-fem
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```
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- - [ PyPi] ( https://pypi.org/project/jax-fem ) (📥 460 / month):
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+ - [ PyPi] ( https://pypi.org/project/jax-fem ) (📥 390 / month):
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```
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pip install jax-fem
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```
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/dpgen2 " >DPGEN2</a ></b > (🥈16 · ⭐ 40) - 2nd generation of the Deep Potential GENerator. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/dpgen2 ) (👨💻 15 · 🔀 33 · 📦 6 · 📋 35 - 34% open · ⏱️ 11.07.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/dpgen2 ) (👨💻 15 · 🔀 34 · 📦 6 · 📋 35 - 34% open · ⏱️ 11.07.2025):
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```
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git clone https://github.com/deepmodeling/dpgen2
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```
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- - [ PyPi] ( https://pypi.org/project/dpgen2 ) (📥 72 / month):
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+ - [ PyPi] ( https://pypi.org/project/dpgen2 ) (📥 59 / month):
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```
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pip install dpgen2
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```
@@ -236,14 +236,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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docker pull dptechnology/dpgen2
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/APEX " >APEX</a ></b > (🥈15 · ⭐ 34 ) - APEX: Alloy Properties EXplorer using simulations. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/APEX " >APEX</a ></b > (🥈15 · ⭐ 36 ) - APEX: Alloy Properties EXplorer using simulations. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/APEX ) (👨💻 7 · 🔀 22 · 📦 4 · 📋 9 - 11% open · ⏱️ 10.04.2025):
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```
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git clone https://github.com/deepmodeling/APEX
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```
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- - [ PyPi] ( https://pypi.org/project/apex-flow ) (📥 240 / month):
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+ - [ PyPi] ( https://pypi.org/project/apex-flow ) (📥 340 / month):
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```
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pip install apex-flow
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```
@@ -255,7 +255,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
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git clone https://github.com/deepmodeling/DMFF
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```
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- - [ Conda] ( https://anaconda.org/conda-forge/dmff ) (📥 2.2K · ⏱️ 22.04.2025):
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+ - [ Conda] ( https://anaconda.org/conda-forge/dmff ) (📥 2.3K · ⏱️ 22.04.2025):
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```
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conda install -c conda-forge dmff
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```
@@ -267,7 +267,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
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git clone https://github.com/deepmodeling/dpgui
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```
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- - [ PyPi] ( https://pypi.org/project/dpgui ) (📥 23K / month):
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+ - [ PyPi] ( https://pypi.org/project/dpgui ) (📥 18K / month):
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```
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pip install dpgui
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```
@@ -279,7 +279,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
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git clone https://github.com/deepmodeling/deepmodeling_sphinx
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```
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- - [ PyPi] ( https://pypi.org/project/deepmodeling_sphinx ) (📥 1.5K / month):
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+ - [ PyPi] ( https://pypi.org/project/deepmodeling_sphinx ) (📥 1.3K / month):
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```
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pip install deepmodeling_sphinx
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```
@@ -291,12 +291,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
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git clone https://github.com/deepmodeling/rid-kit
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```
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- - [ PyPi] ( https://pypi.org/project/rid-kit ) (📥 58 / month):
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+ - [ PyPi] ( https://pypi.org/project/rid-kit ) (📥 19 / month):
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```
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pip install rid-kit
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/GPUMD " >GPUMD</a ></b > (🥉11 · ⭐ 8 · 📉 ) - Graphics Processing Units Molecular Dynamics. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/GPUMD " >GPUMD</a ></b > (🥉11 · ⭐ 9 ) - Graphics Processing Units Molecular Dynamics. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/GPUMD ) (👨💻 49 · ⏱️ 16.05.2025):
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@@ -311,7 +311,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
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git clone https://github.com/deepmodeling/fealpy
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```
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- - [ PyPi] ( https://pypi.org/project/fealpy ) (📥 400 / month):
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+ - [ PyPi] ( https://pypi.org/project/fealpy ) (📥 380 / month):
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```
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pip install fealpy
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```
@@ -323,14 +323,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
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git clone https://github.com/deepmodeling/args
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```
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- - [ npm] ( https://www.npmjs.com/package/@deepmodeling/args ) (📥 210 / month):
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+ - [ npm] ( https://www.npmjs.com/package/@deepmodeling/args ) (📥 180 / month):
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```
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npm install @deepmodeling/args
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```
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/blog " >Blog</a ></b > (🥉10 · ⭐ 3) - DeepModeling Blog. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/blog ) (👨💻 10 · 🔀 9 · ⏱️ 03 .07.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/blog ) (👨💻 10 · 🔀 9 · ⏱️ 18 .07.2025):
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```
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git clone https://github.com/deepmodeling/blog
@@ -359,14 +359,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
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git clone https://github.com/deepmodeling/dpti
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```
362
- - [ PyPi] ( https://pypi.org/project/dpti ) (📥 6 / month):
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+ - [ PyPi] ( https://pypi.org/project/dpti ) (📥 4 / month):
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```
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pip install dpti
365
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```
366
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/AIS-Square " >AIS-Square</a ></b > (🥉8 · ⭐ 13) - <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/AIS-Square ) (👨💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 16 .07.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/AIS-Square ) (👨💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 22 .07.2025):
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```
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git clone https://github.com/deepmodeling/AIS-Square
@@ -379,7 +379,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
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git clone https://github.com/deepmodeling/fpop
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```
382
- - [ PyPi] ( https://pypi.org/project/fpop ) (📥 430 / month):
382
+ - [ PyPi] ( https://pypi.org/project/fpop ) (📥 440 / month):
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```
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pip install fpop
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```
@@ -391,7 +391,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
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git clone https://github.com/deepmodeling/Uni-Fold
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```
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- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/unifold ) (📥 950 · ⏱️ 08.01.2024):
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+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/unifold ) (📥 1.1K · ⏱️ 08.01.2024):
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```
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docker pull dptechnology/unifold
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```
@@ -420,7 +420,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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git clone https://github.com/deepmodeling/docs
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/AI4Science101 " >AI4Science101</a ></b > (🥉5 · ⭐ 95 · 💤) - AI for Science. <code >Unlicensed</code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/AI4Science101 " >AI4Science101</a ></b > (🥉5 · ⭐ 96 · 💤) - AI for Science. <code >Unlicensed</code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/AI4Science101 ) (👨💻 5 · 🔀 15 · ⏱️ 04.09.2022):
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@@ -430,7 +430,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/DeePDih " >DeePDih</a ></b > (🥉5 · ⭐ 6) - Deep Potential driven molecular dihedral scan toolkit. <code ><a href =" http://bit.ly/34MBwT8 " >MIT</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/DeePDih ) (🔀 3 · 📥 4 · ⏱️ 14.07.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/DeePDih ) (🔀 3 · 📥 6 · ⏱️ 14.07.2025):
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```
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git clone https://github.com/deepmodeling/DeePDih
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