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142 changes: 71 additions & 71 deletions README.md
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Original file line number Diff line number Diff line change
Expand Up @@ -51,43 +51,43 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/deepmd-kit
```
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 11K / month):
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 14K / month):
```
pip install deepmd-kit
```
- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2M · ⏱️ 11.06.2025):
```
conda install -c conda-forge deepmd-kit
```
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 3 / month):
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 23 / month):
```
npm install deepmd-kit
```
- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 3.7K · ⭐ 1 · ⏱️ 12.06.2025):
- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 3.8K · ⭐ 1 · ⏱️ 12.06.2025):
```
docker pull deepmodeling/deepmd-kit
```
</details>
<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>

- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.3K - 5% open · ⏱️ 26.06.2025):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.3K - 5% open · ⏱️ 03.07.2025):

```
git clone https://github.com/deepmodeling/abacus-develop
```
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 430K · ⏱️ 22.04.2025):
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 440K · ⏱️ 22.04.2025):
```
conda install -c conda-forge abacus
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgen">DP-GEN</a></b> (🥇23 · ⭐ 350) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 69 · 🔀 170 · 📥 2K · 📦 8 · 📋 320 - 14% open · ⏱️ 21.02.2025):
- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 69 · 🔀 180 · 📥 2K · 📦 8 · 📋 320 - 14% open · ⏱️ 21.02.2025):

```
git clone https://github.com/deepmodeling/dpgen
```
- [PyPi](https://pypi.org/project/dpgen) (📥 580 / month):
- [PyPi](https://pypi.org/project/dpgen) (📥 590 / month):
```
pip install dpgen
```
Expand All @@ -103,7 +103,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/dpdata
```
- [PyPi](https://pypi.org/project/dpdata) (📥 26K / month):
- [PyPi](https://pypi.org/project/dpdata) (📥 27K / month):
```
pip install dpdata
```
Expand All @@ -116,30 +116,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
docker pull dptechnology/dpdata
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈21 · ⭐ 89 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 41 · 📦 3 · 📋 130 - 5% open · ⏱️ 20.06.2025):

```
git clone https://github.com/deepmodeling/reacnetgenerator
```
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 1.8K / month):
```
pip install reacnetgenerator
```
- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 620K · ⏱️ 22.04.2025):
```
conda install -c conda-forge reacnetgenerator
```
</details>
<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>

- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 54 · 📦 65 · 📋 86 - 23% open · ⏱️ 24.06.2025):

```
git clone https://github.com/deepmodeling/dpdispatcher
```
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 1.5K / month):
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 1.6K / month):
```
pip install dpdispatcher
```
Expand All @@ -152,9 +136,25 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
docker pull dptechnology/dpdispatcher
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈20 · ⭐ 89 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 41 · 📦 3 · 📋 130 - 5% open · ⏱️ 20.06.2025):

```
git clone https://github.com/deepmodeling/reacnetgenerator
```
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2.2K / month):
```
pip install reacnetgenerator
```
- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 620K · ⏱️ 22.04.2025):
```
conda install -c conda-forge reacnetgenerator
```
</details>
<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>

- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 28 · 📋 36 - 38% open · ⏱️ 25.06.2025):
- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 28 · 📋 36 - 38% open · ⏱️ 01.07.2025):

```
git clone https://github.com/deepmodeling/dflow
Expand All @@ -167,12 +167,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
conda install -c conda-forge dflow
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 12K · ⏱️ 25.06.2025):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 12K · ⏱️ 01.07.2025):
```
docker pull dptechnology/dflow
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/deepflame-dev">DeepFlame</a></b> (🥈18 · ⭐ 170 · 📈) - A deep learning empowered open-source platform for reacting flow simulations. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
<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>

- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 28 · 🔀 69 · 📋 50 - 42% open · ⏱️ 26.06.2025):

Expand All @@ -187,7 +187,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/dargs
```
- [PyPi](https://pypi.org/project/dargs) (📥 44K / month):
- [PyPi](https://pypi.org/project/dargs) (📥 50K / month):
```
pip install dargs
```
Expand All @@ -198,12 +198,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈16 · ⭐ 79) - 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>

- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 11 · 🔀 20 · 📦 4 · 📋 48 - 31% open · ⏱️ 09.06.2025):
- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 11 · 🔀 20 · 📦 4 · 📋 49 - 32% open · ⏱️ 30.06.2025):

```
git clone https://github.com/deepmodeling/DeePTB
```
- [PyPi](https://pypi.org/project/dptb) (📥 88 / month):
- [PyPi](https://pypi.org/project/dptb) (📥 130 / month):
```
pip install dptb
```
Expand All @@ -215,7 +215,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/dpgen2
```
- [PyPi](https://pypi.org/project/dpgen2) (📥 80 / month):
- [PyPi](https://pypi.org/project/dpgen2) (📥 87 / month):
```
pip install dpgen2
```
Expand All @@ -226,12 +226,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈15 · ⭐ 420) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 71 · 📦 3 · 📋 54 - 55% open · ⏱️ 31.05.2025):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 73 · 📦 3 · 📋 55 - 56% open · ⏱️ 31.05.2025):

```
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/jax-fem) (📥 360 / month):
- [PyPi](https://pypi.org/project/jax-fem) (📥 410 / month):
```
pip install jax-fem
```
Expand All @@ -243,12 +243,24 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/APEX
```
- [PyPi](https://pypi.org/project/apex-flow) (📥 330 / month):
- [PyPi](https://pypi.org/project/apex-flow) (📥 310 / month):
```
pip install apex-flow
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈14 · ⭐ 180) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈14 · ⭐ 8) - A web-based GUI for user inputs. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 13 · ⏱️ 13.03.2025):

```
git clone https://github.com/deepmodeling/dpgui
```
- [PyPi](https://pypi.org/project/dpgui) (📥 27K / month):
```
pip install dpgui
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈13 · ⭐ 180 · 📉) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 14 · 🔀 46 · 📋 28 - 39% open · ⏱️ 10.04.2025):

Expand All @@ -260,28 +272,28 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
conda install -c conda-forge dmff
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈14 · ⭐ 8) - A web-based GUI for user inputs. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<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>

- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 13 · ⏱️ 13.03.2025):
- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 6 · ⏱️ 22.03.2025):

```
git clone https://github.com/deepmodeling/dpgui
git clone https://github.com/deepmodeling/deepmodeling_sphinx
```
- [PyPi](https://pypi.org/project/dpgui) (📥 25K / month):
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.7K / month):
```
pip install dpgui
pip install deepmodeling_sphinx
```
</details>
<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>
<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>

- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 6 · ⏱️ 22.03.2025):
- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 23 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025):

```
git clone https://github.com/deepmodeling/deepmodeling_sphinx
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.6K / month):
- [PyPi](https://pypi.org/project/rid-kit) (📥 63 / month):
```
pip install deepmodeling_sphinx
pip install rid-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉12 · ⭐ 8) - Graphics Processing Units Molecular Dynamics. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
Expand All @@ -299,41 +311,29 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 440 / month):
- [PyPi](https://pypi.org/project/fealpy) (📥 560 / month):
```
pip install fealpy
```
</details>
<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>

- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 23 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025):

```
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/rid-kit) (📥 67 / month):
```
pip install rid-kit
```
</details>
<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>

- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 06.03.2025):

```
git clone https://github.com/deepmodeling/args
```
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 180 / month):
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 210 / month):
```
npm install @deepmodeling/args
```
</details>
<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>
<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>

- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 36 · 📋 30 - 43% open · ⏱️ 28.04.2025):
- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 03.07.2025):

```
git clone https://github.com/deepmodeling/deepks-kit
git clone https://github.com/deepmodeling/blog
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/community">community</a></b> (🥉9 · ⭐ 88) - DeepModeling community content. <code>Unlicensed</code></summary>
Expand All @@ -344,12 +344,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
git clone https://github.com/deepmodeling/community
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/blog">Blog</a></b> (🥉9 · ⭐ 2) - DeepModeling Blog. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<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>

- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 24.06.2025):
- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 36 · 📋 30 - 43% open · ⏱️ 28.04.2025):

```
git clone https://github.com/deepmodeling/blog
git clone https://github.com/deepmodeling/deepks-kit
```
</details>
<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>
Expand All @@ -359,14 +359,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/dpti
```
- [PyPi](https://pypi.org/project/dpti) (📥 12 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 14 / month):
```
pip install dpti
```
</details>
<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>

- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 19.06.2025):
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 30.06.2025):

```
git clone https://github.com/deepmodeling/AIS-Square
Expand All @@ -379,7 +379,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/fpop
```
- [PyPi](https://pypi.org/project/fpop) (📥 450 / month):
- [PyPi](https://pypi.org/project/fpop) (📥 650 / month):
```
pip install fpop
```
Expand All @@ -391,12 +391,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/Uni-Fold
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 880 · ⏱️ 08.01.2024):
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 910 · ⏱️ 08.01.2024):
```
docker pull dptechnology/unifold
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/tutorials">tutorials</a></b> (🥉7 · ⭐ 15) - Tutorials for DeepModeling projects. <code>Unlicensed</code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/tutorials">tutorials</a></b> (🥉6 · ⭐ 15 · 📉) - Tutorials for DeepModeling projects. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 11 · 🔀 23 · ⏱️ 03.04.2025):

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