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120 changes: 60 additions & 60 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 3.8K 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 3.9K 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 3.8K
```
git clone https://github.com/deepmodeling/deepmd-kit
```
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 3.3K / month):
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 3.6K / month):
```
pip install deepmd-kit
```
- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 1.7M · ⏱️ 02.03.2025):
```
conda install -c conda-forge deepmd-kit
```
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 6 / month):
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 2 / month):
```
npm install deepmd-kit
```
Expand Down Expand Up @@ -91,7 +91,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
```
git clone https://github.com/deepmodeling/dpdata
```
- [PyPi](https://pypi.org/project/dpdata) (📥 20K / month):
- [PyPi](https://pypi.org/project/dpdata) (📥 19K / month):
```
pip install dpdata
```
Expand All @@ -104,19 +104,19 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
docker pull dptechnology/dpdata
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇24 · ⭐ 190 · 📉) - 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>
<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇24 · ⭐ 190) - 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) (👨‍💻 120 · 🔀 140 · 📋 2.2K - 4% open · ⏱️ 05.03.2025):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 140 · 📋 2.2K - 4% open · ⏱️ 11.03.2025):

```
git clone https://github.com/deepmodeling/abacus-develop
```
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 350K · ⏱️ 27.02.2025):
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 360K · ⏱️ 11.03.2025):
```
conda install -c conda-forge abacus
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥈22 · ⭐ 48) - 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> (🥈22 · ⭐ 49) - 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 · 🔀 53 · 📦 56 · 📋 81 - 22% open · ⏱️ 28.01.2025):

Expand All @@ -143,7 +143,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
```
git clone https://github.com/deepmodeling/reacnetgenerator
```
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 4.8K / month):
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 4.4K / month):
```
pip install reacnetgenerator
```
Expand All @@ -152,17 +152,9 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
conda install -c conda-forge reacnetgenerator
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/deepflame-dev">DeepFlame</a></b> (🥈17 · ⭐ 150 · 📈) - 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/dflow">dflow</a></b> (🥈18 · ⭐ 67 · 📈) - 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/deepflame-dev) (👨‍💻 26 · 🔀 65 · 📋 49 - 40% open · ⏱️ 18.01.2025):

```
git clone https://github.com/deepmodeling/deepflame-dev
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈17 · ⭐ 67 · 📉) - 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) (👨‍💻 22 · 🔀 27 · 📋 36 - 38% open · ⏱️ 15.01.2025):
- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 22 · 🔀 28 · 📋 36 - 38% open · ⏱️ 10.03.2025):

```
git clone https://github.com/deepmodeling/dflow
Expand All @@ -175,11 +167,19 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
```
conda install -c conda-forge dflow
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 11K · ⏱️ 15.01.2025):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 11K · ⏱️ 10.03.2025):
```
docker pull dptechnology/dflow
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/deepflame-dev">DeepFlame</a></b> (🥈17 · ⭐ 150) - 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) (👨‍💻 26 · 🔀 65 · 📋 49 - 40% open · ⏱️ 18.01.2025):

```
git clone https://github.com/deepmodeling/deepflame-dev
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dargs">dargs</a></b> (🥈17 · ⭐ 5) - 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) (👨‍💻 7 · 🔀 3 · 📦 140 · 📋 9 - 22% open · ⏱️ 28.01.2025):
Expand All @@ -196,37 +196,49 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
conda install -c conda-forge dargs
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgen2">DPGEN2</a></b> (🥈15 · ⭐ 34) - 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 · ⭐ 35) - 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) (👨‍💻 14 · 🔀 26 · 📦 6 · 📋 34 - 32% open · ⏱️ 08.01.2025):
- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 26 · 📦 6 · 📋 34 - 32% open · ⏱️ 13.03.2025):

```
git clone https://github.com/deepmodeling/dpgen2
```
- [PyPi](https://pypi.org/project/dpgen2) (📥 210 / month):
- [PyPi](https://pypi.org/project/dpgen2) (📥 220 / month):
```
pip install dpgen2
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.8K · ⏱️ 08.01.2025):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.8K · ⏱️ 13.03.2025):
```
docker pull dptechnology/dpgen2
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈15 · ⭐ 28) - 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 · 🔀 20 · 📦 4 · 📋 9 - 11% open · ⏱️ 19.02.2025):
- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 20 · 📦 4 · 📋 9 - 11% open · ⏱️ 11.03.2025):

```
git clone https://github.com/deepmodeling/APEX
```
- [PyPi](https://pypi.org/project/apex-flow) (📥 940 / month):
- [PyPi](https://pypi.org/project/apex-flow) (📥 800 / month):
```
pip install apex-flow
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈14 · ⭐ 64) - DeePTB: A deep learning package for tight-binding approach 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/dpgui">DP-GUI</a></b> (🥈15 · ⭐ 7 · 📈) - 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 · 📦 12 · ⏱️ 13.03.2025):

```
git clone https://github.com/deepmodeling/dpgui
```
- [PyPi](https://pypi.org/project/dpgui) (📥 17K / month):
```
pip install dpgui
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈14 · ⭐ 66) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 10 · 🔀 17 · 📦 2 · 📋 42 - 30% open · ⏱️ 04.03.2025):
- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 10 · 🔀 17 · 📦 2 · 📋 43 - 32% open · ⏱️ 04.03.2025):

```
git clone https://github.com/deepmodeling/DeePTB
Expand All @@ -236,21 +248,21 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
pip install dptb
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈14 · ⭐ 7) - 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/jax-fem">JAX-FEM</a></b> (🥈13 · ⭐ 350 · 📈) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 12 · ⏱️ 30.12.2024):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 9 · 🔀 52 · 📦 3 · 📋 47 - 59% open · ⏱️ 13.12.2024):

```
git clone https://github.com/deepmodeling/dpgui
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/dpgui) (📥 17K / month):
- [PyPi](https://pypi.org/project/jax-fem) (📥 300 / month):
```
pip install dpgui
pip install jax-fem
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈13 · ⭐ 170 · 💤) - 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 · 📋 27 - 40% open · ⏱️ 12.01.2024):
- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 14 · 🔀 46 · 📋 28 - 42% open · ⏱️ 12.01.2024):

```
git clone https://github.com/deepmodeling/DMFF
Expand All @@ -260,42 +272,30 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
conda install -c conda-forge dmff
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/rid-kit">rid-kit</a></b> (🥈13 · ⭐ 47 · 💤) - 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> (🥈13 · ⭐ 47) - 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 · ⏱️ 27.06.2024):
- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 23 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 07.03.2025):

```
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/rid-kit) (📥 480 / month):
- [PyPi](https://pypi.org/project/rid-kit) (📥 470 / month):
```
pip install rid-kit
```
</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> (🥈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/deepmodeling_sphinx) (👨‍💻 7 · 🔀 7 · ⏱️ 27.10.2024):

```
git clone https://github.com/deepmodeling/deepmodeling_sphinx
```
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.2K / month):
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.5K / month):
```
pip install deepmodeling_sphinx
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥉12 · ⭐ 350 · 📉) - 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) (👨‍💻 9 · 🔀 52 · 📦 3 · 📋 47 - 59% open · ⏱️ 13.12.2024):

```
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/jax-fem) (📥 310 / month):
```
pip install jax-fem
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉12 · ⭐ 5) - Graphics Processing Units Molecular Dynamics. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 44 · ⏱️ 14.02.2025):
Expand All @@ -304,14 +304,14 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
git clone https://github.com/deepmodeling/GPUMD
```
</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>
<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) (📥 120 / month):
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 190 / month):
```
npm install @deepmodeling/args
```
Expand All @@ -326,12 +326,12 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉9 · ⭐ 24) - 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 · ⏱️ 30.12.2024):
- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 17 · 🔀 19 · 📦 2 · 📋 10 - 90% open · ⏱️ 10.03.2025):

```
git clone https://github.com/deepmodeling/dpti
```
- [PyPi](https://pypi.org/project/dpti) (📥 120 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 110 / month):
```
pip install dpti
```
Expand All @@ -343,22 +343,22 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
```
git clone https://github.com/deepmodeling/fpop
```
- [PyPi](https://pypi.org/project/fpop) (📥 360 / month):
- [PyPi](https://pypi.org/project/fpop) (📥 440 / month):
```
pip install fpop
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/blog">Blog</a></b> (🥉9 · ⭐ 1) - DeepModeling Blog. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 9 · 🔀 8 · ⏱️ 28.02.2025):
- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 9 · 🔀 8 · ⏱️ 13.03.2025):

```
git clone https://github.com/deepmodeling/blog
```
</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 · ⏱️ 06.03.2025):
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 13.03.2025):

```
git clone https://github.com/deepmodeling/AIS-Square
Expand All @@ -371,7 +371,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
```
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 460 / month):
- [PyPi](https://pypi.org/project/fealpy) (📥 590 / month):
```
pip install fealpy
```
Expand Down Expand Up @@ -436,7 +436,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
git clone https://github.com/deepmodeling/tutorials
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeepH-pack">DeepH-pack</a></b> (🥉4 · ⭐ 12 · 💤) - Deep neural networks for density functional theory Hamiltonian. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/DeepH-pack">DeepH-pack</a></b> (🥉4 · ⭐ 13 · 💤) - Deep neural networks for density functional theory Hamiltonian. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/DeepH-pack) (👨‍💻 6 · 🔀 6 · 📋 6 - 66% open · ⏱️ 28.12.2023):

Expand Down
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