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128 changes: 64 additions & 64 deletions README.md
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Expand Up @@ -46,20 +46,20 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K

<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 · 📥 62K · 📦 38 · 📋 930 - 8% open · ⏱️ 02.10.2025):
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 83 · 🔀 550 · 📥 62K · 📦 38 · 📋 930 - 8% open · ⏱️ 07.10.2025):

```
git clone https://github.com/deepmodeling/deepmd-kit
```
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 7.5K / month):
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 7.8K / month):
```
pip install deepmd-kit
```
- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.2M · ⏱️ 01.10.2025):
```
conda install -c conda-forge deepmd-kit
```
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 2 / month):
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 4 / month):
```
npm install deepmd-kit
```
Expand All @@ -70,12 +70,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
</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 · ⏱️ 30.09.2025):
- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 72 · 🔀 180 · 📥 2K · 📦 8 · 📋 330 - 9% open · ⏱️ 07.10.2025):

```
git clone https://github.com/deepmodeling/dpgen
```
- [PyPi](https://pypi.org/project/dpgen) (📥 1.5K / month):
- [PyPi](https://pypi.org/project/dpgen) (📥 1.6K / month):
```
pip install dpgen
```
Expand All @@ -86,12 +86,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
</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 - 20% open · ⏱️ 30.09.2025):
- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 67 · 🔀 140 · 📦 150 · 📋 130 - 20% open · ⏱️ 07.10.2025):

```
git clone https://github.com/deepmodeling/dpdata
```
- [PyPi](https://pypi.org/project/dpdata) (📥 28K / month):
- [PyPi](https://pypi.org/project/dpdata) (📥 26K / month):
```
pip install dpdata
```
Expand All @@ -104,21 +104,21 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
docker pull dptechnology/dpdata
```
</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>
<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇24 · ⭐ 220) - 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 · ⏱️ 01.10.2025):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.4K - 6% open · ⏱️ 09.10.2025):

```
git clone https://github.com/deepmodeling/abacus-develop
```
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 490K · ⏱️ 22.04.2025):
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 500K · ⏱️ 22.04.2025):
```
conda install -c conda-forge abacus
```
</details>
<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 · 📋 95 - 18% open · ⏱️ 18.09.2025):
- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 48 · 🔀 56 · 📦 69 · 📋 95 - 18% open · ⏱️ 02.10.2025):

```
git clone https://github.com/deepmodeling/dpdispatcher
Expand All @@ -127,44 +127,32 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
```
pip install dpdispatcher
```
- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 33K · ⏱️ 12.08.2025):
- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 33K · ⏱️ 03.10.2025):
```
conda install -c conda-forge dpdispatcher
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 130K · ⏱️ 12.08.2025):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 130K · ⏱️ 03.10.2025):
```
docker pull dptechnology/dpdispatcher
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈19 · ⭐ 94) - 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 · ⏱️ 26.08.2025):
- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 41 · 📦 3 · 📋 130 - 5% open · ⏱️ 02.10.2025):

```
git clone https://github.com/deepmodeling/reacnetgenerator
```
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 1.9K / month):
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 1.7K / month):
```
pip install reacnetgenerator
```
- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 660K · ⏱️ 22.04.2025):
- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 670K · ⏱️ 22.04.2025):
```
conda install -c conda-forge reacnetgenerator
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈18 · ⭐ 87) - 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 · 🔀 23 · 📦 4 · 📋 53 - 33% open · ⏱️ 24.09.2025):

```
git clone https://github.com/deepmodeling/DeePTB
```
- [PyPi](https://pypi.org/project/dptb) (📥 280 / 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> (🥈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>

- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 29 · 📋 36 - 36% open · ⏱️ 23.09.2025):

Expand All @@ -184,14 +172,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
docker pull dptechnology/dflow
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈17 · ⭐ 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/jax-fem">JAX-FEM</a></b> (🥈17 · ⭐ 500) - 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 · 🔀 82 · 📦 3 · 📋 61 - 50% open · ⏱️ 02.10.2025):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 17 · 🔀 83 · 📦 3 · 📋 62 - 51% open · ⏱️ 05.10.2025):

```
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/jax-fem) (📥 410 / month):
- [PyPi](https://pypi.org/project/jax-fem) (📥 360 / month):
```
pip install jax-fem
```
Expand All @@ -204,14 +192,26 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
git clone https://github.com/deepmodeling/deepflame-dev
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈17 · ⭐ 88 · 📉) - 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 · 🔀 23 · 📦 4 · 📋 54 - 35% open · ⏱️ 24.09.2025):

```
git clone https://github.com/deepmodeling/DeePTB
```
- [PyPi](https://pypi.org/project/dptb) (📥 260 / month):
```
pip install dptb
```
</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>

- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 18 · 🔀 35 · 📦 6 · 📋 44 - 36% open · ⏱️ 30.09.2025):

```
git clone https://github.com/deepmodeling/dpgen2
```
- [PyPi](https://pypi.org/project/dpgen2) (📥 98 / month):
- [PyPi](https://pypi.org/project/dpgen2) (📥 93 / month):
```
pip install dpgen2
```
Expand All @@ -227,7 +227,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
```
git clone https://github.com/deepmodeling/dargs
```
- [PyPi](https://pypi.org/project/dargs) (📥 33K / month):
- [PyPi](https://pypi.org/project/dargs) (📥 30K / month):
```
pip install dargs
```
Expand All @@ -243,7 +243,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
```
git clone https://github.com/deepmodeling/APEX
```
- [PyPi](https://pypi.org/project/apex-flow) (📥 440 / month):
- [PyPi](https://pypi.org/project/apex-flow) (📥 300 / month):
```
pip install apex-flow
```
Expand All @@ -267,7 +267,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
```
git clone https://github.com/deepmodeling/dpgui
```
- [PyPi](https://pypi.org/project/dpgui) (📥 12K / month):
- [PyPi](https://pypi.org/project/dpgui) (📥 8.9K / month):
```
pip install dpgui
```
Expand All @@ -279,41 +279,41 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
```
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/rid-kit) (📥 88 / month):
- [PyPi](https://pypi.org/project/rid-kit) (📥 78 / month):
```
pip install rid-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉12 · ⭐ 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> (🥉12 · ⭐ 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 · ⏱️ 29.09.2025):
- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 53 · ⏱️ 07.10.2025):

```
git clone https://github.com/deepmodeling/GPUMD
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/deepmodeling_sphinx">deepmodeling_sphinx</a></b> (🥉11 · ⭐ 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/fealpy">fealpy</a></b> (🥉11 · ⭐ 6 · 📈) - Finite Element Analysis Library in Python. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 6 · ⏱️ 26.08.2025):
- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025):

```
git clone https://github.com/deepmodeling/deepmodeling_sphinx
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.7K / month):
- [PyPi](https://pypi.org/project/fealpy) (📥 3.6K / month):
```
pip install deepmodeling_sphinx
pip install fealpy
```
</details>
<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>
<details><summary><b><a href="https://github.com/deepmodeling/deepmodeling_sphinx">deepmodeling_sphinx</a></b> (🥉11 · ⭐ 3) - Sphinx extension for DeepModeling projects. <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/deepmodeling_sphinx) (👨‍💻 7 · 🔀 6 · ⏱️ 26.08.2025):

```
git clone https://github.com/deepmodeling/fealpy
git clone https://github.com/deepmodeling/deepmodeling_sphinx
```
- [PyPi](https://pypi.org/project/fealpy) (📥 3.2K / month):
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.4K / month):
```
pip install fealpy
pip install deepmodeling_sphinx
```
</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 @@ -323,19 +323,19 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
```
git clone https://github.com/deepmodeling/fpop
```
- [PyPi](https://pypi.org/project/fpop) (📥 2.5K / month):
- [PyPi](https://pypi.org/project/fpop) (📥 2.2K / month):
```
pip install fpop
```
</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> (🥉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 · ⏱️ 12.08.2025):

```
git clone https://github.com/deepmodeling/args
```
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 160 / month):
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 210 / month):
```
npm install @deepmodeling/args
```
Expand All @@ -355,7 +355,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
```
git clone https://github.com/deepmodeling/dpti
```
- [PyPi](https://pypi.org/project/dpti) (📥 26 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 45 / month):
```
pip install dpti
```
Expand All @@ -368,9 +368,9 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
git clone https://github.com/deepmodeling/AIS-Square
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/blog">Blog</a></b> (🥉8 · ⭐ 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/blog">Blog</a></b> (🥉8 · ⭐ 3) - DeepModeling Blog. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 30.09.2025):
- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 09.10.2025):

```
git clone https://github.com/deepmodeling/blog
Expand Down Expand Up @@ -436,6 +436,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
git clone https://github.com/deepmodeling/DeePDih
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/ADMP">ADMP</a></b> (🥉5 · ⭐ 4 · 💤) - Automatic Differentiation Multipole Moment Molecular Forcefield. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/ADMP) (👨‍💻 7 · 🔀 3 · ⏱️ 15.02.2022):

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

- [GitHub](https://github.com/deepmodeling/DeepH-pack) (👨‍💻 6 · 🔀 6 · 📋 6 - 66% open · ⏱️ 28.12.2023):
Expand All @@ -452,14 +460,6 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
git clone https://github.com/deepmodeling/tutorials-cn
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/ADMP">ADMP</a></b> (🥉4 · ⭐ 4 · 💤) - Automatic Differentiation Multipole Moment Molecular Forcefield. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/ADMP) (👨‍💻 7 · 🔀 3 · ⏱️ 15.02.2022):

```
git clone https://github.com/deepmodeling/ADMP
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/LibRI">LibRI</a></b> (🥉2 · ⭐ 6 · 💤) - <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/LibRI) (👨‍💻 3 · 🔀 1 · 📋 3 - 66% open · ⏱️ 10.01.2025):
Expand All @@ -468,7 +468,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.4K
git clone https://github.com/deepmodeling/LibRI
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/openfinite">openfinite</a></b> ( ⭐ 1 · 💤) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/openfinite">openfinite</a></b> (🥉1 · ⭐ 1 · 💤) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/openfinite) (👨‍💻 2 · 🔀 1 · ⏱️ 06.10.2021):

Expand Down
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