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88 changes: 44 additions & 44 deletions README.md
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Expand Up @@ -46,12 +46,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K

<details><summary><b><a href="https://github.com/deepmodeling/deepmd-kit">DeePMD-kit</a></b> (🥇30 · ⭐ 1.9K) - 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) (👨‍💻 84 · 🔀 570 · 📥 68K · 📦 46 · 📋 980 - 10% open · ⏱️ 26.02.2026):
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 84 · 🔀 570 · 📥 68K · 📦 46 · 📋 980 - 9% open · ⏱️ 05.03.2026):

```
git clone https://github.com/deepmodeling/deepmd-kit
```
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 11K / month):
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 9.1K / month):
```
pip install deepmd-kit
```
Expand All @@ -63,23 +63,23 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
```
npm install deepmd-kit
```
- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 5K · ⭐ 1 · ⏱️ 27.12.2025):
- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 5.1K · ⭐ 1 · ⏱️ 27.12.2025):
```
docker pull deepmodeling/deepmd-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇26 · ⭐ 240 · 📈) - 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>
<details><summary><b><a href="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇26 · ⭐ 240) - 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) (👨‍💻 68 · 🔀 150 · 📦 160 · 📋 130 - 21% open · ⏱️ 26.02.2026):

```
git clone https://github.com/deepmodeling/dpdata
```
- [PyPi](https://pypi.org/project/dpdata) (📥 60K / month):
- [PyPi](https://pypi.org/project/dpdata) (📥 72K / month):
```
pip install dpdata
```
- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 120K · ⏱️ 21.10.2025):
- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 120K · ⏱️ 01.03.2026):
```
conda install -c conda-forge dpdata
```
Expand All @@ -90,7 +90,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇25 · ⭐ 250) - 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) (👨‍💻 140 · 🔀 150 · 📋 2.5K - 7% open · ⏱️ 26.02.2026):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 140 · 🔀 150 · 📋 2.5K - 7% open · ⏱️ 04.03.2026):

```
git clone https://github.com/deepmodeling/abacus-develop
Expand All @@ -102,12 +102,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgen">DP-GEN</a></b> (🥇23 · ⭐ 380) - 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) (👨‍💻 73 · 🔀 180 · 📥 2.1K · 📦 8 · 📋 340 - 11% open · ⏱️ 25.02.2026):
- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 73 · 🔀 180 · 📥 2.1K · 📦 8 · 📋 340 - 11% open · ⏱️ 01.03.2026):

```
git clone https://github.com/deepmodeling/dpgen
```
- [PyPi](https://pypi.org/project/dpgen) (📥 470 / month):
- [PyPi](https://pypi.org/project/dpgen) (📥 480 / month):
```
pip install dpgen
```
Expand All @@ -116,7 +116,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
conda install -c conda-forge dpgen
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥇23 · ⭐ 56 · 📈) - 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> (🥇23 · ⭐ 57) - 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 · 🔀 57 · 📦 69 · 📋 99 - 19% open · ⏱️ 25.02.2026):

Expand All @@ -143,7 +143,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
```
git clone https://github.com/deepmodeling/reacnetgenerator
```
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 3.8K / month):
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 3.9K / month):
```
pip install reacnetgenerator
```
Expand All @@ -152,23 +152,23 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
conda install -c conda-forge reacnetgenerator
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dargs">dargs</a></b> (🥈19 · ⭐ 6 · 📈) - Argument processing for the deep modeling project. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/dargs">dargs</a></b> (🥈19 · ⭐ 6) - Argument processing for the deep modeling project. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 8 · 🔀 4 · 📦 160 · 📋 14 - 21% open · ⏱️ 24.02.2026):

```
git clone https://github.com/deepmodeling/dargs
```
- [PyPi](https://pypi.org/project/dargs) (📥 75K / month):
- [PyPi](https://pypi.org/project/dargs) (📥 87K / month):
```
pip install dargs
```
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 60K · ⏱️ 25.02.2026):
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 61K · ⏱️ 25.02.2026):
```
conda install -c conda-forge dargs
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈18 · ⭐ 79) - 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 · ⭐ 81) - 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 · 🔀 30 · 📋 36 - 36% open · ⏱️ 21.01.2026):

Expand Down Expand Up @@ -203,7 +203,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
```
git clone https://github.com/deepmodeling/DeePTB
```
- [PyPi](https://pypi.org/project/dptb) (📥 370 / month):
- [PyPi](https://pypi.org/project/dptb) (📥 380 / month):
```
pip install dptb
```
Expand All @@ -215,7 +215,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
```
git clone https://github.com/deepmodeling/dpgen2
```
- [PyPi](https://pypi.org/project/dpgen2) (📥 71 / month):
- [PyPi](https://pypi.org/project/dpgen2) (📥 65 / month):
```
pip install dpgen2
```
Expand All @@ -224,31 +224,31 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
docker pull dptechnology/dpgen2
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈15 · ⭐ 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> (🥈15 · ⭐ 9 · 💤) - 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) (📥 61K / month):
- [PyPi](https://pypi.org/project/dpgui) (📥 73K / month):
```
pip install dpgui
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 590) - 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> (🥈14 · ⭐ 600) - 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) (👨‍💻 17 · 🔀 94 · 📦 3 · 📋 70 - 34% open · ⏱️ 08.02.2026):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 17 · 🔀 97 · 📦 3 · 📋 70 - 34% open · ⏱️ 08.02.2026):

```
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/jax-fem) (📥 660 / month):
- [PyPi](https://pypi.org/project/jax-fem) (📥 700 / month):
```
pip install jax-fem
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈14 · ⭐ 190) - 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/DMFF">DMFF</a></b> (🥈14 · ⭐ 190 · 💤) - 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) (👨‍💻 17 · 🔀 47 · 📋 28 - 28% open · ⏱️ 06.08.2025):

Expand All @@ -262,12 +262,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈14 · ⭐ 42 · 💤) - APEX: Alloy Properties EXplorer using simulations. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 25 · 📦 4 · 📋 10 - 10% open · ⏱️ 10.04.2025):
- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 26 · 📦 4 · 📋 10 - 10% open · ⏱️ 10.04.2025):

```
git clone https://github.com/deepmodeling/APEX
```
- [PyPi](https://pypi.org/project/apex-flow) (📥 640 / month):
- [PyPi](https://pypi.org/project/apex-flow) (📥 460 / month):
```
pip install apex-flow
```
Expand All @@ -279,7 +279,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
```
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/rid-kit) (📥 93 / month):
- [PyPi](https://pypi.org/project/rid-kit) (📥 91 / month):
```
pip install rid-kit
```
Expand All @@ -299,7 +299,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
```
git clone https://github.com/deepmodeling/deepmodeling_sphinx
```
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.6K / month):
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.4K / month):
```
pip install deepmodeling_sphinx
```
Expand All @@ -311,19 +311,19 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
```
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 1.3K / month):
- [PyPi](https://pypi.org/project/fealpy) (📥 1.4K / month):
```
pip install fealpy
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉10 · ⭐ 31 · 💤) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉10 · ⭐ 32 · 💤) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 17 · 🔀 22 · 📦 2 · 📋 10 - 90% open · ⏱️ 15.03.2025):

```
git clone https://github.com/deepmodeling/dpti
```
- [PyPi](https://pypi.org/project/dpti) (📥 30 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 31 / month):
```
pip install dpti
```
Expand All @@ -338,7 +338,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/AIS-Square">AIS-Square</a></b> (🥉9 · ⭐ 15) - <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 · ⏱️ 30.01.2026):
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 05.03.2026):

```
git clone https://github.com/deepmodeling/AIS-Square
Expand All @@ -359,27 +359,19 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
```
git clone https://github.com/deepmodeling/fpop
```
- [PyPi](https://pypi.org/project/fpop) (📥 220 / month):
- [PyPi](https://pypi.org/project/fpop) (📥 160 / month):
```
pip install fpop
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/community">community</a></b> (🥉8 · ⭐ 91) - DeepModeling community content. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 20 · 🔀 24 · ⏱️ 25.12.2025):

```
git clone https://github.com/deepmodeling/community
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/args">args</a></b> (🥉8 · ⭐ 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 · ⏱️ 15.12.2025):

```
git clone https://github.com/deepmodeling/args
```
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 110 / month):
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 120 / month):
```
npm install @deepmodeling/args
```
Expand All @@ -391,11 +383,19 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
```
git clone https://github.com/deepmodeling/Uni-Fold
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 1.2K · ⏱️ 08.01.2024):
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 1.3K · ⏱️ 08.01.2024):
```
docker pull dptechnology/unifold
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/community">community</a></b> (🥉7 · ⭐ 92 · 📉) - DeepModeling community content. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 20 · 🔀 24 · ⏱️ 25.12.2025):

```
git clone https://github.com/deepmodeling/community
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/tutorials">tutorials</a></b> (🥉6 · ⭐ 16 · 💤) - Tutorials for DeepModeling projects. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 12 · 🔀 23 · 📋 4 - 25% open · ⏱️ 03.04.2025):
Expand All @@ -420,15 +420,15 @@ This curated list contains 38 awesome open-source projects with a total of 4.8K
git clone https://github.com/deepmodeling/docs
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/AI4Science101">AI4Science101</a></b> (🥉5 · ⭐ 100 · 💤) - AI for Science. <code>Unlicensed</code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/AI4Science101">AI4Science101</a></b> (🥉5 · ⭐ 99 · 💤) - AI for Science. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 16 · ⏱️ 04.09.2022):

```
git clone https://github.com/deepmodeling/AI4Science101
```
</details>
<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>
<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>

- [GitHub](https://github.com/deepmodeling/DeePDih) (🔀 3 · 📥 7 · ⏱️ 05.08.2025):

Expand Down
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## 📉 Trending Down

_Projects that have a lower project-quality score compared to the last update. There might be a variety of reasons such as decreased downloads or code activity._

- <b><a href="https://github.com/deepmodeling/community">community</a></b> (🥉7 · ⭐ 92 · 📉) - DeepModeling community content. <code>Unlicensed</code>

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