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112 changes: 56 additions & 56 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 4.3K 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!
This curated list contains 38 awesome open-source projects with a total of 4.4K 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 @@ -44,9 +44,9 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K

<a href="#contents"><img align="right" width="15" height="15" src="https://git.io/JtehR" alt="Back to top"></a>

<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>
<details><summary><b><a href="https://github.com/deepmodeling/deepmd-kit">DeePMD-kit</a></b> (🥇29 · ⭐ 1.8K) - 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>

- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 83 · 🔀 550 · 📥 60K · 📦 38 · 📋 920 - 9% open · ⏱️ 09.09.2025):
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 83 · 🔀 550 · 📥 61K · 📦 38 · 📋 920 - 8% open · ⏱️ 18.09.2025):

```
git clone https://github.com/deepmodeling/deepmd-kit
Expand All @@ -55,27 +55,27 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
```
pip install deepmd-kit
```
- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.1M · ⏱️ 11.06.2025):
- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.1M · ⏱️ 12.09.2025):
```
conda install -c conda-forge deepmd-kit
```
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 5 / month):
```
npm install deepmd-kit
```
- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 4.1K · ⭐ 1 · ⏱️ 12.06.2025):
- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 4.2K · ⭐ 1 · ⏱️ 12.06.2025):
```
docker pull deepmodeling/deepmd-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgen">DP-GEN</a></b> (🥇24 · ⭐ 360) - 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) (👨‍💻 72 · 🔀 180 · 📥 2K · 📦 8 · 📋 330 - 9% open · ⏱️ 10.09.2025):
- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 72 · 🔀 180 · 📥 2K · 📦 8 · 📋 330 - 9% open · ⏱️ 18.09.2025):

```
git clone https://github.com/deepmodeling/dpgen
```
- [PyPi](https://pypi.org/project/dpgen) (📥 730 / month):
- [PyPi](https://pypi.org/project/dpgen) (📥 920 / month):
```
pip install dpgen
```
Expand All @@ -86,12 +86,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇24 · ⭐ 220) - 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) (👨‍💻 67 · 🔀 140 · 📦 150 · 📋 130 - 21% open · ⏱️ 10.09.2025):
- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 67 · 🔀 140 · 📦 150 · 📋 130 - 20% open · ⏱️ 18.09.2025):

```
git clone https://github.com/deepmodeling/dpdata
```
- [PyPi](https://pypi.org/project/dpdata) (📥 22K / month):
- [PyPi](https://pypi.org/project/dpdata) (📥 24K / month):
```
pip install dpdata
```
Expand All @@ -106,7 +106,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
</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 · 📋 2.4K - 6% open · ⏱️ 11.09.2025):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.3K - 6% open · ⏱️ 17.09.2025):

```
git clone https://github.com/deepmodeling/abacus-develop
Expand All @@ -116,14 +116,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
conda install -c conda-forge abacus
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥈23 · ⭐ 52) - 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>
<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥇24 · ⭐ 52 · 📈) - 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) (👨‍💻 48 · 🔀 56 · 📦 69 · 📋 94 - 19% open · ⏱️ 07.09.2025):
- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 48 · 🔀 56 · 📦 69 · 📋 95 - 18% open · ⏱️ 18.09.2025):

```
git clone https://github.com/deepmodeling/dpdispatcher
```
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 3.9K / month):
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 5.3K / month):
```
pip install dpdispatcher
```
Expand All @@ -136,14 +136,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
docker pull dptechnology/dpdispatcher
```
</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>
<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈19 · ⭐ 92 · 📉) - 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 · 🔀 40 · 📦 3 · 📋 130 - 5% open · ⏱️ 26.08.2025):
- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 41 · 📦 3 · 📋 130 - 5% open · ⏱️ 26.08.2025):

```
git clone https://github.com/deepmodeling/reacnetgenerator
```
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 730 / month):
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 560 / month):
```
pip install reacnetgenerator
```
Expand All @@ -152,29 +152,21 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
conda install -c conda-forge reacnetgenerator
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/deepflame-dev">DeepFlame</a></b> (🥈18 · ⭐ 190) - 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/DeePTB">DeePTB</a></b> (🥈18 · ⭐ 85) - 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/deepflame-dev) (👨‍💻 29 · 🔀 70 · 📋 56 - 42% open · ⏱️ 23.07.2025):

```
git clone https://github.com/deepmodeling/deepflame-dev
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈18 · ⭐ 85 · 📈) - 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) (👨‍💻 12 · 🔀 22 · 📦 4 · 📋 51 - 33% open · ⏱️ 01.09.2025):
- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 12 · 🔀 23 · 📦 4 · 📋 51 - 33% open · ⏱️ 01.09.2025):

```
git clone https://github.com/deepmodeling/DeePTB
```
- [PyPi](https://pypi.org/project/dptb) (📥 170 / month):
- [PyPi](https://pypi.org/project/dptb) (📥 200 / month):
```
pip install dptb
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈18 · ⭐ 73 · 📉) - 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>
<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈18 · ⭐ 73) - 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 · ⏱️ 25.08.2025):
- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 29 · 📋 36 - 38% open · ⏱️ 16.09.2025):

```
git clone https://github.com/deepmodeling/dflow
Expand All @@ -187,19 +179,27 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
```
conda install -c conda-forge dflow
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 15K · ⏱️ 25.08.2025):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 15K · ⏱️ 16.09.2025):
```
docker pull dptechnology/dflow
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈16 · ⭐ 490 · 📈) - 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/deepflame-dev">DeepFlame</a></b> (🥈17 · ⭐ 190 · 📉) - 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) (👨‍💻 29 · 🔀 70 · 📋 56 - 42% open · ⏱️ 23.07.2025):

```
git clone https://github.com/deepmodeling/deepflame-dev
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈16 · ⭐ 490) - 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) (👨‍💻 15 · 🔀 79 · 📦 3 · 📋 61 - 54% open · ⏱️ 03.09.2025):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 15 · 🔀 80 · 📦 3 · 📋 61 - 54% open · ⏱️ 03.09.2025):

```
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/jax-fem) (📥 440 / month):
- [PyPi](https://pypi.org/project/jax-fem) (📥 430 / month):
```
pip install jax-fem
```
Expand All @@ -211,7 +211,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
```
git clone https://github.com/deepmodeling/dpgen2
```
- [PyPi](https://pypi.org/project/dpgen2) (📥 56 / month):
- [PyPi](https://pypi.org/project/dpgen2) (📥 69 / month):
```
pip install dpgen2
```
Expand Down Expand Up @@ -243,7 +243,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
```
git clone https://github.com/deepmodeling/APEX
```
- [PyPi](https://pypi.org/project/apex-flow) (📥 300 / month):
- [PyPi](https://pypi.org/project/apex-flow) (📥 330 / month):
```
pip install apex-flow
```
Expand All @@ -260,14 +260,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
conda install -c conda-forge dmff
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈13 · ⭐ 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/dpgui">DP-GUI</a></b> (🥈13 · ⭐ 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 · ⏱️ 26.08.2025):

```
git clone https://github.com/deepmodeling/dpgui
```
- [PyPi](https://pypi.org/project/dpgui) (📥 22K / month):
- [PyPi](https://pypi.org/project/dpgui) (📥 19K / month):
```
pip install dpgui
```
Expand All @@ -279,12 +279,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
```
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/rid-kit) (📥 33 / month):
- [PyPi](https://pypi.org/project/rid-kit) (📥 27 / month):
```
pip install rid-kit
```
</details>
<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>
<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>

- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 53 · ⏱️ 10.09.2025):

Expand All @@ -299,17 +299,21 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
```
git clone https://github.com/deepmodeling/deepmodeling_sphinx
```
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2K / month):
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.1K / month):
```
pip install deepmodeling_sphinx
```
</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/fealpy">fealpy</a></b> (🥉10 · ⭐ 6 · 📈) - Finite Element Analysis Library in Python. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 11.08.2025):
- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025):

```
git clone https://github.com/deepmodeling/blog
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 1.1K / month):
```
pip install fealpy
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/fpop">fpop</a></b> (🥉10 · ⭐ 3 · 💤) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
Expand All @@ -319,7 +323,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
```
git clone https://github.com/deepmodeling/fpop
```
- [PyPi](https://pypi.org/project/fpop) (📥 1.1K / month):
- [PyPi](https://pypi.org/project/fpop) (📥 1.7K / month):
```
pip install fpop
```
Expand All @@ -334,25 +338,21 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
</details>
<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/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 08.09.2025):
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 15.09.2025):

```
git clone https://github.com/deepmodeling/AIS-Square
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/fealpy">fealpy</a></b> (🥉9 · ⭐ 6) - Finite Element Analysis Library in Python. <code>Unlicensed</code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/blog">Blog</a></b> (🥉9 · ⭐ 3 · 📉) - DeepModeling Blog. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025):
- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 11.08.2025):

```
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 260 / month):
```
pip install fealpy
git clone https://github.com/deepmodeling/blog
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/args">args</a></b> (🥉9 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/args">args</a></b> (🥉9 · ⭐ 2) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 12.08.2025):

Expand All @@ -371,7 +371,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
```
git clone https://github.com/deepmodeling/dpti
```
- [PyPi](https://pypi.org/project/dpti) (📥 14 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 17 / month):
```
pip install dpti
```
Expand All @@ -388,9 +388,9 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
docker pull dptechnology/unifold
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/community">community</a></b> (🥉7 · ⭐ 88 · 📉) - DeepModeling community content. <code>Unlicensed</code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/community">community</a></b> (🥉7 · ⭐ 89) - DeepModeling community content. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 19 · 🔀 23 · ⏱️ 12.06.2025):
- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 19 · 🔀 24 · ⏱️ 12.06.2025):

```
git clone https://github.com/deepmodeling/community
Expand Down
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