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96 changes: 48 additions & 48 deletions README.md
Original file line number Diff line number Diff line change
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> (🥇28 · ⭐ 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 · ⭐ 1.7K · 📈) - 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>

- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 79 · 🔀 540 · 📥 58K · 📦 37 · 📋 900 - 9% open · ⏱️ 11.06.2025):
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 82 · 🔀 540 · 📥 58K · 📦 37 · 📋 910 - 9% open · ⏱️ 19.08.2025):

```
git clone https://github.com/deepmodeling/deepmd-kit
Expand All @@ -70,19 +70,19 @@ 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 · 🔀 150 · 📋 2.3K - 6% open · ⏱️ 11.08.2025):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.3K - 6% open · ⏱️ 20.08.2025):

```
git clone https://github.com/deepmodeling/abacus-develop
```
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 460K · ⏱️ 22.04.2025):
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 470K · ⏱️ 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) (👨‍💻 71 · 🔀 180 · 📥 2K · 📦 8 · 📋 320 - 14% open · ⏱️ 07.08.2025):
- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 71 · 🔀 180 · 📥 2K · 📦 8 · 📋 320 - 14% open · ⏱️ 13.08.2025):

```
git clone https://github.com/deepmodeling/dpgen
Expand All @@ -98,7 +98,7 @@ 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/dpdata">dpdata</a></b> (🥇23 · ⭐ 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) (👨‍💻 65 · 🔀 140 · 📦 140 · 📋 120 - 20% open · ⏱️ 03.08.2025):
- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 65 · 🔀 140 · 📦 140 · 📋 120 - 20% open · ⏱️ 21.08.2025):

```
git clone https://github.com/deepmodeling/dpdata
Expand Down Expand Up @@ -152,7 +152,15 @@ 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/dflow">dflow</a></b> (🥈19 · ⭐ 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/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>

- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 29 · 🔀 70 · 📋 52 - 38% open · ⏱️ 23.07.2025):

```
git clone https://github.com/deepmodeling/deepflame-dev
```
</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>

- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 28 · 📋 36 - 38% open · ⏱️ 20.07.2025):

Expand All @@ -172,15 +180,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
docker pull dptechnology/dflow
```
</details>
<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) (👨‍💻 29 · 🔀 70 · 📋 52 - 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> (🥈16 · ⭐ 83) - 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>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈16 · ⭐ 84) - 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 · 🔀 22 · 📦 4 · 📋 51 - 33% open · ⏱️ 11.08.2025):

Expand Down Expand Up @@ -208,42 +208,42 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
docker pull dptechnology/dpgen2
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dargs">dargs</a></b> (🥈15 · ⭐ 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/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 470) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 7 · 🔀 3 · 📦 150 · 📋 9 - 22% open · ⏱️ 28.01.2025):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 12 · 🔀 77 · 📦 3 · 📋 60 - 55% open · ⏱️ 19.08.2025):

```
git clone https://github.com/deepmodeling/dargs
```
- [PyPi](https://pypi.org/project/dargs):
```
pip install dargs
git clone https://github.com/deepmodeling/jax-fem
```
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 50K · ⏱️ 22.04.2025):
- [PyPi](https://pypi.org/project/jax-fem):
```
conda install -c conda-forge dargs
pip install jax-fem
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 460) - 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/dargs">dargs</a></b> (🥈14 · ⭐ 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/jax-fem) (👨‍💻 11 · 🔀 77 · 📦 3 · 📋 59 - 55% open · ⏱️ 08.08.2025):
- [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 7 · 🔀 3 · 📦 150 · 📋 9 - 22% open · ⏱️ 18.08.2025):

```
git clone https://github.com/deepmodeling/jax-fem
git clone https://github.com/deepmodeling/dargs
```
- [PyPi](https://pypi.org/project/jax-fem):
- [PyPi](https://pypi.org/project/dargs):
```
pip install jax-fem
pip install dargs
```
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 51K · ⏱️ 22.04.2025):
```
conda install -c conda-forge dargs
```
</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) (👨‍💻 16 · 🔀 46 · 📋 28 - 32% open · ⏱️ 06.08.2025):
- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 16 · 🔀 47 · 📋 28 - 32% open · ⏱️ 06.08.2025):

```
git clone https://github.com/deepmodeling/DMFF
```
- [Conda](https://anaconda.org/conda-forge/dmff) (📥 2.3K · ⏱️ 22.04.2025):
- [Conda](https://anaconda.org/conda-forge/dmff) (📥 2.4K · ⏱️ 22.04.2025):
```
conda install -c conda-forge dmff
```
Expand Down Expand Up @@ -272,18 +272,6 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
pip install rid-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥉10 · ⭐ 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):
```
pip install dpgui
```
</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>

- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 11.08.2025):
Expand Down Expand Up @@ -311,7 +299,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
```
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) (📥 130 / month):
```
npm install @deepmodeling/args
```
Expand All @@ -334,12 +322,24 @@ 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 · ⏱️ 14.08.2025):
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 15.08.2025):

```
git clone https://github.com/deepmodeling/AIS-Square
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥉9 · ⭐ 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 · ⏱️ 19.08.2025):

```
git clone https://github.com/deepmodeling/dpgui
```
- [PyPi](https://pypi.org/project/dpgui):
```
pip install dpgui
```
</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>

- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 17 · 🔀 19 · 📦 2 · 📋 10 - 90% open · ⏱️ 15.03.2025):
Expand All @@ -352,7 +352,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
pip install dpti
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉8 · ⭐ 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> (🥉8 · ⭐ 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) (👨‍💻 49 · ⏱️ 16.05.2025):

Expand Down Expand Up @@ -404,7 +404,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
git clone https://github.com/deepmodeling/tutorials
```
</details>
<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>
<details><summary><b><a href="https://github.com/deepmodeling/tbplas">tbplas</a></b> (🥉6 · ⭐ 12 · 💤) - 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
14 changes: 14 additions & 0 deletions history/2025-08-21_changes.md
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@@ -0,0 +1,14 @@
## 📈 Trending Up

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

- <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>

## 📉 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/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>
- <b><a href="https://github.com/deepmodeling/dargs">dargs</a></b> (🥈14 · ⭐ 6 · 📉) - Argument processing for the deep modeling project. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code>
- <b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥉9 · ⭐ 8 · 📉) - A web-based GUI for user inputs. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code>

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