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<a href="https://github.com/deepmodeling/deepmodeling-projects/releases" title="Best-of Updates"><img src="https://img.shields.io/github/release-date/deepmodeling/deepmodeling-projects?color=green&label=updated"></a>
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</p >
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- This curated list contains 38 awesome open-source projects with a total of 4.2K stars grouped into 0 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [ issue] ( https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose ) , submit a [ pull request] ( https://github.com/deepmodeling/deepmodeling-projects/pulls ) , or directly edit the [ projects.yaml] ( https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml ) . Contributions are very welcome!
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+ This curated list contains 38 awesome open-source projects with a total of 4.3K stars grouped into 0 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [ issue] ( https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose ) , submit a [ pull request] ( https://github.com/deepmodeling/deepmodeling-projects/pulls ) , or directly edit the [ projects.yaml] ( https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml ) . Contributions are very welcome!
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> 🧙♂️ Discover other [ best-of lists] ( https://best-of.org ) or [ create your own] ( https://github.com/best-of-lists/best-of/blob/main/create-best-of-list.md ) .
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@@ -51,15 +51,15 @@ 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/deepmd-kit
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```
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- - [ PyPi] ( https://pypi.org/project/deepmd-kit ) (📥 14K / month):
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+ - [ PyPi] ( https://pypi.org/project/deepmd-kit ) (📥 9.5K / 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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```
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- - [ npm] ( https://www.npmjs.com/package/deepmd-kit ) (📥 28 / month):
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+ - [ npm] ( https://www.npmjs.com/package/deepmd-kit ) (📥 11 / month):
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```
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npm install deepmd-kit
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```
@@ -70,12 +70,12 @@ 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/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 · ⏱️ 23 .07.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/abacus-develop ) (👨💻 130 · 🔀 150 · 📋 2.3K - 6 % open · ⏱️ 31 .07.2025):
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```
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git clone https://github.com/deepmodeling/abacus-develop
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```
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- - [ Conda] ( https://anaconda.org/conda-forge/abacus ) (📥 450K · ⏱️ 22.04.2025):
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```
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conda install -c conda-forge abacus
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```
@@ -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 ) (📥 580 / month):
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+ - [ PyPi] ( https://pypi.org/project/dpgen ) (📥 600 / month):
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```
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pip install dpgen
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```
@@ -98,16 +98,16 @@ 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/dpdata " >dpdata</a ></b > (🥇23 · ⭐ 210) - 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 >
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- - [ GitHub] ( https://github.com/deepmodeling/dpdata ) (👨💻 62 · 🔀 140 · 📦 140 · 📋 120 - 18 % open · ⏱️ 20.03.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/dpdata ) (👨💻 62 · 🔀 140 · 📦 140 · 📋 120 - 20 % open · ⏱️ 20.03.2025):
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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 ) (📥 22K / month):
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+ - [ PyPi] ( https://pypi.org/project/dpdata ) (📥 16K / month):
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```
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```
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- - [ Conda] ( https://anaconda.org/conda-forge/dpdata ) (📥 100K · ⏱️ 22.04.2025):
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+ - [ Conda] ( https://anaconda.org/conda-forge/dpdata ) (📥 110K · ⏱️ 22.04.2025):
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```
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conda install -c conda-forge dpdata
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```
@@ -118,16 +118,16 @@ 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 · 🔀 55 · 📦 65 · 📋 86 - 23 % open · ⏱️ 24.06.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/dpdispatcher ) (👨💻 46 · 🔀 55 · 📦 65 · 📋 87 - 24 % open · ⏱️ 24.06.2025):
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```
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```
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- - [ PyPi] ( https://pypi.org/project/dpdispatcher ) (📥 1.5K / month):
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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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```
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- - [ Conda] ( https://anaconda.org/conda-forge/dpdispatcher ) (📥 30K · ⏱️ 03.06.2025):
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+ - [ Conda] ( https://anaconda.org/conda-forge/dpdispatcher ) (📥 31K · ⏱️ 03.06.2025):
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```
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conda install -c conda-forge dpdispatcher
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```
@@ -138,12 +138,12 @@ 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/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 · 🔀 40 · 📦 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 ) (📥 3K / month):
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+ - [ PyPi] ( https://pypi.org/project/reacnetgenerator ) (📥 2.5K / month):
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```
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```
@@ -187,7 +187,7 @@ 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/DeePTB
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```
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- - [ PyPi] ( https://pypi.org/project/dptb ) (📥 180 / month):
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+ - [ PyPi] ( https://pypi.org/project/dptb ) (📥 170 / month):
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```
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@@ -199,39 +199,39 @@ 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 ) (📥 39K / month):
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```
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```
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- - [ Conda] ( https://anaconda.org/conda-forge/dargs ) (📥 49K · ⏱️ 22.04.2025):
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```
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conda install -c conda-forge dargs
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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 · ⭐ 450 ) - 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 · 🔀 75 · 📦 3 · 📋 55 - 56 % open · ⏱️ 20 .07.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/jax-fem ) (👨💻 10 · 🔀 75 · 📦 3 · 📋 56 - 55 % open · ⏱️ 28 .07.2025):
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```
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```
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- - [ PyPi] ( https://pypi.org/project/jax-fem ) (📥 390 / month):
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+ - [ PyPi] ( https://pypi.org/project/jax-fem ) (📥 400 / 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 >
223
+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpgen2 " >DPGEN2</a ></b > (🥈15 · ⭐ 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 · 🔀 34 · 📦 6 · 📋 35 - 34% open · ⏱️ 11 .07.2025):
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+ - [ GitHub] ( https://github.com/deepmodeling/dpgen2 ) (👨💻 16 · 🔀 34 · 📦 6 · 📋 35 - 34% open · ⏱️ 25 .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 ) (📥 59 / month):
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+ - [ PyPi] ( https://pypi.org/project/dpgen2 ) (📥 48 / month):
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```
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```
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- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpgen2 ) (📥 4K · ⏱️ 11 .07.2025):
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+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpgen2 ) (📥 4K · ⏱️ 25 .07.2025):
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```
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docker pull dptechnology/dpgen2
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```
@@ -243,7 +243,7 @@ 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/APEX
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```
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- - [ PyPi] ( https://pypi.org/project/apex-flow ) (📥 340 / month):
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+ - [ PyPi] ( https://pypi.org/project/apex-flow ) (📥 310 / month):
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```
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pip install apex-flow
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```
@@ -267,31 +267,31 @@ 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 ) (📥 18K / month):
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+ - [ PyPi] ( https://pypi.org/project/dpgui ) (📥 11K / month):
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```
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pip install dpgui
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/deepmodeling_sphinx " >deepmodeling_sphinx</a ></b > (🥉13 · ⭐ 3) - Sphinx extension for DeepModeling projects. <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/deepmodeling_sphinx " >deepmodeling_sphinx</a ></b > (🥉12 · ⭐ 3 · 📉 ) - Sphinx extension for DeepModeling projects. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/deepmodeling_sphinx ) (👨💻 7 · 🔀 6 · ⏱️ 22.03.2025):
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```
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git clone https://github.com/deepmodeling/deepmodeling_sphinx
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```
282
- - [ PyPi] ( https://pypi.org/project/deepmodeling_sphinx ) (📥 1.3K / month):
282
+ - [ PyPi] ( https://pypi.org/project/deepmodeling_sphinx ) (📥 980 / month):
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```
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pip install deepmodeling_sphinx
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/rid-kit " >rid-kit</a ></b > (🥉12 · ⭐ 49) - Reinforced dynamics. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
287
+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/rid-kit " >rid-kit</a ></b > (🥉11 · ⭐ 49 · 📉 ) - Reinforced dynamics. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/rid-kit ) (👨💻 14 · 🔀 23 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025):
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```
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git clone https://github.com/deepmodeling/rid-kit
293
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```
294
- - [ PyPi] ( https://pypi.org/project/rid-kit ) (📥 19 / month):
294
+ - [ PyPi] ( https://pypi.org/project/rid-kit ) (📥 17 / month):
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```
296
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pip install rid-kit
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```
@@ -304,36 +304,44 @@ 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/GPUMD
305
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```
306
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</details >
307
- <details ><summary ><b ><a href =" https://github.com/deepmodeling/fealpy " >fealpy</a ></b > (🥉11 · ⭐ 6) - Finite Element Analysis Library in Python. <code >Unlicensed</code ></summary >
307
+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/fealpy " >fealpy</a ></b > (🥉10 · ⭐ 6 · 📉 ) - Finite Element Analysis Library in Python. <code >Unlicensed</code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/fealpy ) (👨💻 69 · 🔀 2 · ⏱️ 28.04.2025):
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```
312
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git clone https://github.com/deepmodeling/fealpy
313
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```
314
- - [ PyPi] ( https://pypi.org/project/fealpy ) (📥 380 / month):
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+ - [ PyPi] ( https://pypi.org/project/fealpy ) (📥 270 / month):
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```
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pip install fealpy
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```
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</details >
319
- <details ><summary ><b ><a href =" https://github.com/deepmodeling/args " >args</a ></b > (🥉11 · ⭐ 2) - DeepModeling dargs arguments generation. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
319
+ <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 >
320
+
321
+ - [ GitHub] ( https://github.com/deepmodeling/blog ) (👨💻 10 · 🔀 9 · ⏱️ 28.07.2025):
322
+
323
+ ```
324
+ git clone https://github.com/deepmodeling/blog
325
+ ```
326
+ </details >
327
+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/args " >args</a ></b > (🥉10 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
320
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- [ GitHub] ( https://github.com/deepmodeling/args ) (👨💻 3 · 🔀 2 · 📦 5 · ⏱️ 06.03.2025):
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```
324
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git clone https://github.com/deepmodeling/args
325
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```
326
- - [ npm] ( https://www.npmjs.com/package/@deepmodeling/args ) (📥 180 / month):
334
+ - [ npm] ( https://www.npmjs.com/package/@deepmodeling/args ) (📥 130 / month):
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```
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npm install @deepmodeling/args
329
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```
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</details >
331
- <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 >
339
+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/deepks-kit " >DeePKS-kit </a ></b > (🥉9 · ⭐ 110 · 📈 ) - 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 >
332
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- - [ GitHub] ( https://github.com/deepmodeling/blog ) (👨💻 10 · 🔀 9 · ⏱️ 18.07 .2025):
341
+ - [ GitHub] ( https://github.com/deepmodeling/deepks-kit ) (👨💻 7 · 🔀 36 · 📋 30 - 43% open · ⏱️ 28.04 .2025):
334
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```
336
- git clone https://github.com/deepmodeling/blog
344
+ git clone https://github.com/deepmodeling/deepks-kit
337
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```
338
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</details >
339
347
<details ><summary ><b ><a href =" https://github.com/deepmodeling/community " >community</a ></b > (🥉9 · ⭐ 88) - DeepModeling community content. <code >Unlicensed</code ></summary >
@@ -344,12 +352,12 @@ 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/community
345
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```
346
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</details >
347
- <details ><summary ><b ><a href =" https://github.com/deepmodeling/deepks-kit " >DeePKS-kit </a ></b > (🥉8 · ⭐ 110) - 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 >
355
+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/AIS-Square " >AIS-Square </a ></b > (🥉9 · ⭐ 13 · 📈) - <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
348
356
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- - [ GitHub] ( https://github.com/deepmodeling/deepks-kit ) (👨💻 7 · 🔀 36 · 📋 30 - 43 % open · ⏱️ 28.04 .2025):
357
+ - [ GitHub] ( https://github.com/deepmodeling/AIS-Square ) (👨💻 8 · 🔀 8 · 📋 6 - 83 % open · ⏱️ 30.07 .2025):
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```
352
- git clone https://github.com/deepmodeling/deepks-kit
360
+ git clone https://github.com/deepmodeling/AIS-Square
353
361
```
354
362
</details >
355
363
<details ><summary ><b ><a href =" https://github.com/deepmodeling/dpti " >dpti</a ></b > (🥉8 · ⭐ 29) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
@@ -359,27 +367,19 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
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```
360
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git clone https://github.com/deepmodeling/dpti
361
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```
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- - [ PyPi] ( https://pypi.org/project/dpti ) (📥 4 / month):
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+ - [ PyPi] ( https://pypi.org/project/dpti ) (📥 3 / month):
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```
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pip install dpti
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```
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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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-
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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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- ```
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- git clone https://github.com/deepmodeling/AIS-Square
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- ```
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- </details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/fpop " >fpop</a ></b > (🥉8 · ⭐ 2 · 💤) - <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/fpop ) (👨💻 4 · 🔀 11 · 📦 15 · ⏱️ 01.07.2024):
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```
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git clone https://github.com/deepmodeling/fpop
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```
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- - [ PyPi] ( https://pypi.org/project/fpop ) (📥 440 / month):
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+ - [ PyPi] ( https://pypi.org/project/fpop ) (📥 250 / month):
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```
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pip install fpop
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```
@@ -404,7 +404,7 @@ 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/tutorials
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/tbplas " >tbplas</a ></b > (🥉6 · ⭐ 10 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). <code >Unlicensed</code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/tbplas " >tbplas</a ></b > (🥉6 · ⭐ 11 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). <code >Unlicensed</code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/tbplas ) (👨💻 10 · 🔀 5 · ⏱️ 17.01.2024):
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@@ -444,7 +444,7 @@ 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/DeepH-pack
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/tutorials-cn " >tutorials-cn</a ></b > (🥉4 · ⭐ 5 · 💤) - <code ><a href =" https://tldrlegal.com/search?q=LGPL-2.1 " >LGPL-2.1</a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/tutorials-cn " >tutorials-cn</a ></b > (🥉4 · ⭐ 6 · 💤) - <code ><a href =" https://tldrlegal.com/search?q=LGPL-2.1 " >LGPL-2.1</a ></code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/tutorials-cn ) (👨💻 4 · 🔀 7 · ⏱️ 29.12.2022):
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