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Update best-of list for version 2025.07.31
  • Loading branch information
njzjz authored and actions-user committed Jul 31, 2025
commit e67b9f1aa8d9c371696aa01f4c6b22158532662e
104 changes: 52 additions & 52 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -15,7 +15,7 @@
<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>
</p>

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!
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!

> 🧙‍♂️ 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).

Expand Down Expand Up @@ -51,15 +51,15 @@ 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) (📥 14K / month):
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 9.5K / 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) (📥 28 / month):
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 11 / month):
```
npm install deepmd-kit
```
Expand All @@ -70,12 +70,12 @@ 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/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>

- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.3K - 5% open · ⏱️ 23.07.2025):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 150 · 📋 2.3K - 6% open · ⏱️ 31.07.2025):

```
git clone https://github.com/deepmodeling/abacus-develop
```
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 450K · ⏱️ 22.04.2025):
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 460K · ⏱️ 22.04.2025):
```
conda install -c conda-forge abacus
```
Expand All @@ -87,7 +87,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/dpgen
```
- [PyPi](https://pypi.org/project/dpgen) (📥 580 / month):
- [PyPi](https://pypi.org/project/dpgen) (📥 600 / month):
```
pip install dpgen
```
Expand All @@ -98,16 +98,16 @@ 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/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>

- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 62 · 🔀 140 · 📦 140 · 📋 120 - 18% open · ⏱️ 20.03.2025):
- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 62 · 🔀 140 · 📦 140 · 📋 120 - 20% open · ⏱️ 20.03.2025):

```
git clone https://github.com/deepmodeling/dpdata
```
- [PyPi](https://pypi.org/project/dpdata) (📥 22K / month):
- [PyPi](https://pypi.org/project/dpdata) (📥 16K / month):
```
pip install dpdata
```
- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 100K · ⏱️ 22.04.2025):
- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 110K · ⏱️ 22.04.2025):
```
conda install -c conda-forge dpdata
```
Expand All @@ -118,16 +118,16 @@ 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/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 · 🔀 55 · 📦 65 · 📋 86 - 23% open · ⏱️ 24.06.2025):
- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 55 · 📦 65 · 📋 87 - 24% 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) (📥 1.4K / month):
```
pip install dpdispatcher
```
- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 30K · ⏱️ 03.06.2025):
- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 31K · ⏱️ 03.06.2025):
```
conda install -c conda-forge dpdispatcher
```
Expand All @@ -138,12 +138,12 @@ 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/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>

- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 41 · 📦 3 · 📋 130 - 5% open · ⏱️ 20.06.2025):
- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 40 · 📦 3 · 📋 130 - 5% open · ⏱️ 20.06.2025):

```
git clone https://github.com/deepmodeling/reacnetgenerator
```
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 3K / month):
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2.5K / month):
```
pip install reacnetgenerator
```
Expand Down Expand Up @@ -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/DeePTB
```
- [PyPi](https://pypi.org/project/dptb) (📥 180 / month):
- [PyPi](https://pypi.org/project/dptb) (📥 170 / month):
```
pip install dptb
```
Expand All @@ -199,39 +199,39 @@ 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) (📥 39K / month):
- [PyPi](https://pypi.org/project/dargs) (📥 24K / month):
```
pip install dargs
```
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 49K · ⏱️ 22.04.2025):
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 50K · ⏱️ 22.04.2025):
```
conda install -c conda-forge dargs
```
</details>
<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>
<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>

- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 75 · 📦 3 · 📋 55 - 56% open · ⏱️ 20.07.2025):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 75 · 📦 3 · 📋 56 - 55% open · ⏱️ 28.07.2025):

```
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/jax-fem) (📥 390 / month):
- [PyPi](https://pypi.org/project/jax-fem) (📥 400 / month):
```
pip install jax-fem
```
</details>
<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>
<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>

- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 15 · 🔀 34 · 📦 6 · 📋 35 - 34% open · ⏱️ 11.07.2025):
- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 16 · 🔀 34 · 📦 6 · 📋 35 - 34% open · ⏱️ 25.07.2025):

```
git clone https://github.com/deepmodeling/dpgen2
```
- [PyPi](https://pypi.org/project/dpgen2) (📥 59 / month):
- [PyPi](https://pypi.org/project/dpgen2) (📥 48 / month):
```
pip install dpgen2
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 4K · ⏱️ 11.07.2025):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 4K · ⏱️ 25.07.2025):
```
docker pull dptechnology/dpgen2
```
Expand All @@ -243,7 +243,7 @@ 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) (📥 340 / month):
- [PyPi](https://pypi.org/project/apex-flow) (📥 310 / month):
```
pip install apex-flow
```
Expand All @@ -267,31 +267,31 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/dpgui
```
- [PyPi](https://pypi.org/project/dpgui) (📥 18K / month):
- [PyPi](https://pypi.org/project/dpgui) (📥 11K / month):
```
pip install dpgui
```
</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/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>

- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 6 · ⏱️ 22.03.2025):

```
git clone https://github.com/deepmodeling/deepmodeling_sphinx
```
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.3K / month):
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 980 / month):
```
pip install deepmodeling_sphinx
```
</details>
<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>
<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) (📥 19 / month):
- [PyPi](https://pypi.org/project/rid-kit) (📥 17 / month):
```
pip install rid-kit
```
Expand All @@ -304,36 +304,44 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
git clone https://github.com/deepmodeling/GPUMD
```
</details>
<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>
<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>

- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025):

```
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 380 / month):
- [PyPi](https://pypi.org/project/fealpy) (📥 270 / month):
```
pip install fealpy
```
</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>
<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/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 28.07.2025):

```
git clone https://github.com/deepmodeling/blog
```
</details>
<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>

- [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) (📥 130 / month):
```
npm install @deepmodeling/args
```
</details>
<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>
<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>

- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 18.07.2025):
- [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/community">community</a></b> (🥉9 · ⭐ 88) - DeepModeling community content. <code>Unlicensed</code></summary>
Expand All @@ -344,12 +352,12 @@ 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/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>
<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>

- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 36 · 📋 30 - 43% open · ⏱️ 28.04.2025):
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 30.07.2025):

```
git clone https://github.com/deepmodeling/deepks-kit
git clone https://github.com/deepmodeling/AIS-Square
```
</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 @@ -359,27 +367,19 @@ 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) (📥 4 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 3 / 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 · ⏱️ 22.07.2025):

```
git clone https://github.com/deepmodeling/AIS-Square
```
</details>
<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>

- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 11 · 📦 15 · ⏱️ 01.07.2024):

```
git clone https://github.com/deepmodeling/fpop
```
- [PyPi](https://pypi.org/project/fpop) (📥 440 / month):
- [PyPi](https://pypi.org/project/fpop) (📥 250 / month):
```
pip install fpop
```
Expand All @@ -404,7 +404,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
git clone https://github.com/deepmodeling/tutorials
```
</details>
<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>
<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>

- [GitHub](https://github.com/deepmodeling/tbplas) (👨‍💻 10 · 🔀 5 · ⏱️ 17.01.2024):

Expand Down Expand Up @@ -444,7 +444,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
git clone https://github.com/deepmodeling/DeepH-pack
```
</details>
<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>
<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>

- [GitHub](https://github.com/deepmodeling/tutorials-cn) (👨‍💻 4 · 🔀 7 · ⏱️ 29.12.2022):

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