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114 changes: 57 additions & 57 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 4.6K

<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) (👨‍💻 84 · 🔀 560 · 📥 65K · 📦 41 · 📋 950 - 9% open · ⏱️ 23.12.2025):
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 84 · 🔀 560 · 📥 66K · 📦 41 · 📋 950 - 9% open · ⏱️ 08.01.2026):

```
git clone https://github.com/deepmodeling/deepmd-kit
```
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 9.1K / month):
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 9.4K / month):
```
pip install deepmd-kit
```
- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.4M · ⏱️ 22.12.2025):
```
conda install -c conda-forge deepmd-kit
```
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 4 / month):
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 3 / month):
```
npm install deepmd-kit
```
Expand All @@ -68,26 +68,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
docker pull deepmodeling/deepmd-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇25 · ⭐ 240 · 📈) - 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 · 📋 2.4K - 7% open · ⏱️ 31.12.2025):

```
git clone https://github.com/deepmodeling/abacus-develop
```
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 560K · ⏱️ 20.12.2025):
```
conda install -c conda-forge abacus
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgen">DP-GEN</a></b> (🥇24 · ⭐ 370) - 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 · 📥 2K · 📦 8 · 📋 330 - 10% open · ⏱️ 23.12.2025):
- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 73 · 🔀 180 · 📥 2K · 📦 8 · 📋 330 - 10% open · ⏱️ 03.01.2026):

```
git clone https://github.com/deepmodeling/dpgen
```
- [PyPi](https://pypi.org/project/dpgen) (📥 730 / month):
- [PyPi](https://pypi.org/project/dpgen) (📥 650 / month):
```
pip install dpgen
```
Expand All @@ -103,7 +91,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
```
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 @@ -116,18 +104,30 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
docker pull dptechnology/dpdata
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥈22 · ⭐ 53 · 📉) - 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/abacus-develop">ABACUS</a></b> (🥇24 · ⭐ 240 · 📉) - 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 · ⏱️ 07.01.2026):

```
git clone https://github.com/deepmodeling/abacus-develop
```
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 570K · ⏱️ 20.12.2025):
```
conda install -c conda-forge abacus
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥈22 · ⭐ 53) - 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 · 📋 97 - 18% open · ⏱️ 21.12.2025):

```
git clone https://github.com/deepmodeling/dpdispatcher
```
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.3K / month):
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.1K / month):
```
pip install dpdispatcher
```
- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 37K · ⏱️ 11.11.2025):
- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 38K · ⏱️ 11.11.2025):
```
conda install -c conda-forge dpdispatcher
```
Expand All @@ -136,7 +136,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
docker pull dptechnology/dpdispatcher
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈19 · ⭐ 95 · 📈) - 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 · ⭐ 95) - 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 · 🔀 42 · 📦 3 · 📋 130 - 5% open · ⏱️ 02.10.2025):

Expand All @@ -147,7 +147,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
```
pip install reacnetgenerator
```
- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 710K · ⏱️ 11.11.2025):
- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 720K · ⏱️ 11.11.2025):
```
conda install -c conda-forge reacnetgenerator
```
Expand All @@ -172,26 +172,26 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
docker pull dptechnology/dflow
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈16 · ⭐ 95) - 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 · ⭐ 97) - 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) (👨‍💻 14 · 🔀 25 · 📦 4 · 📋 57 - 31% open · ⏱️ 24.12.2025):
- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 14 · 🔀 25 · 📦 4 · 📋 57 - 31% open · ⏱️ 05.01.2026):

```
git clone https://github.com/deepmodeling/DeePTB
```
- [PyPi](https://pypi.org/project/dptb) (📥 160 / month):
- [PyPi](https://pypi.org/project/dptb) (📥 150 / 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) (👨‍💻 19 · 🔀 36 · 📦 6 · 📋 45 - 37% open · ⏱️ 02.12.2025):
- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 19 · 🔀 35 · 📦 6 · 📋 45 - 37% open · ⏱️ 02.12.2025):

```
git clone https://github.com/deepmodeling/dpgen2
```
- [PyPi](https://pypi.org/project/dpgen2) (📥 89 / month):
- [PyPi](https://pypi.org/project/dpgen2) (📥 110 / month):
```
pip install dpgen2
```
Expand All @@ -207,7 +207,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
```
git clone https://github.com/deepmodeling/dargs
```
- [PyPi](https://pypi.org/project/dargs) (📥 30K / month):
- [PyPi](https://pypi.org/project/dargs) (📥 33K / month):
```
pip install dargs
```
Expand All @@ -216,24 +216,24 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
conda install -c conda-forge dargs
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈15 · ⭐ 550) - 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> (🥈15 · ⭐ 200) - 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/jax-fem) (👨‍💻 17 · 🔀 90 · 📦 3 · 📋 69 - 34% open · ⏱️ 13.11.2025):
- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 29 · 🔀 72 · 📋 60 - 43% open · ⏱️ 05.01.2026):

```
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/jax-fem) (📥 590 / month):
```
pip install jax-fem
git clone https://github.com/deepmodeling/deepflame-dev
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/deepflame-dev">DeepFlame</a></b> (🥈15 · ⭐ 200 · 📉) - 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/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 550 · 📉) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 29 · 🔀 72 · 📋 60 - 43% open · ⏱️ 23.07.2025):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 17 · 🔀 90 · 📦 3 · 📋 69 - 34% open · ⏱️ 13.11.2025):

```
git clone https://github.com/deepmodeling/deepflame-dev
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/jax-fem) (📥 520 / month):
```
pip install jax-fem
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈14 · ⭐ 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>
Expand All @@ -248,14 +248,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
conda install -c conda-forge dmff
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈14 · ⭐ 41 · 💤) - APEX: Alloy Properties EXplorer using simulations. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<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 · 🔀 23 · 📦 4 · 📋 10 - 10% open · ⏱️ 10.04.2025):

```
git clone https://github.com/deepmodeling/APEX
```
- [PyPi](https://pypi.org/project/apex-flow) (📥 220 / month):
- [PyPi](https://pypi.org/project/apex-flow) (📥 190 / month):
```
pip install apex-flow
```
Expand All @@ -267,7 +267,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
```
git clone https://github.com/deepmodeling/dpgui
```
- [PyPi](https://pypi.org/project/dpgui) (📥 18K / month):
- [PyPi](https://pypi.org/project/dpgui) (📥 21K / month):
```
pip install dpgui
```
Expand All @@ -284,14 +284,6 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
pip install rid-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉12 · ⭐ 11) - Graphics Processing Units Molecular Dynamics. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 55 · ⏱️ 12.12.2025):

```
git clone https://github.com/deepmodeling/GPUMD
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/deepmodeling_sphinx">deepmodeling_sphinx</a></b> (🥉12 · ⭐ 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) (👨‍💻 8 · 🔀 6 · ⏱️ 12.11.2025):
Expand All @@ -304,14 +296,22 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
pip install deepmodeling_sphinx
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉11 · ⭐ 11 · 📉) - Graphics Processing Units Molecular Dynamics. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 55 · ⏱️ 12.12.2025):

```
git clone https://github.com/deepmodeling/GPUMD
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉10 · ⭐ 30 · 💤) - 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) (📥 33 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 31 / month):
```
pip install dpti
```
Expand All @@ -323,7 +323,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
```
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 520 / month):
- [PyPi](https://pypi.org/project/fealpy) (📥 590 / month):
```
pip install fealpy
```
Expand All @@ -344,7 +344,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
git clone https://github.com/deepmodeling/community
```
</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>
<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 · ⏱️ 29.12.2025):

Expand All @@ -367,7 +367,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
```
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
```
Expand All @@ -379,7 +379,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
```
git clone https://github.com/deepmodeling/args
```
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 27 / month):
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 39 / month):
```
npm install @deepmodeling/args
```
Expand Down Expand Up @@ -422,7 +422,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
</details>
<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 · 🔀 15 · ⏱️ 04.09.2022):
- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 16 · ⏱️ 04.09.2022):

```
git clone https://github.com/deepmodeling/AI4Science101
Expand All @@ -444,7 +444,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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>
<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
8 changes: 8 additions & 0 deletions history/2026-01-08_changes.md
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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/abacus-develop">ABACUS</a></b> (🥇24 · ⭐ 240 · 📉) - 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>
- <b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 550 · 📉) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code>
- <b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉11 · ⭐ 11 · 📉) - Graphics Processing Units Molecular Dynamics. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code>

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