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132 changes: 66 additions & 66 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -44,22 +44,22 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K

<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> (🥇27 · ⭐ 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>
<details><summary><b><a href="https://github.com/deepmodeling/deepmd-kit">DeePMD-kit</a></b> (🥇27 · ⭐ 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 · 🔀 580 · 📥 69K · 📋 1K - 10% open · ⏱️ 08.04.2026):
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 84 · 🔀 580 · 📥 70K · 📋 1K - 10% open · ⏱️ 14.04.2026):

```
git clone https://github.com/deepmodeling/deepmd-kit
```
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 7.1K / month):
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 7.4K / month):
```
pip install deepmd-kit
```
- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.7M · ⏱️ 19.03.2026):
```
conda install -c conda-forge deepmd-kit
```
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 15 / month):
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 16 / month):
```
npm install deepmd-kit
```
Expand All @@ -68,14 +68,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
docker pull deepmodeling/deepmd-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇27 · ⭐ 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) (👨‍💻 67 · 🔀 150 · 📦 160 · 📋 140 - 20% open · ⏱️ 06.04.2026):
- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 67 · 🔀 150 · 📦 160 · 📋 140 - 20% open · ⏱️ 15.04.2026):

```
git clone https://github.com/deepmodeling/dpdata
```
- [PyPi](https://pypi.org/project/dpdata) (📥 72K / month):
- [PyPi](https://pypi.org/project/dpdata) (📥 71K / month):
```
pip install dpdata
```
Expand All @@ -90,7 +90,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇25 · ⭐ 260) - 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) (👨‍💻 150 · 🔀 220 · 📋 2.5K - 7% open · ⏱️ 09.04.2026):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 150 · 🔀 220 · 📋 2.5K - 7% open · ⏱️ 15.04.2026):

```
git clone https://github.com/deepmodeling/abacus-develop
Expand All @@ -100,40 +100,40 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
conda install -c conda-forge abacus
```
</details>
<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>
<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/dpdispatcher) (👨‍💻 49 · 🔀 58 · 📦 70 · 📋 99 - 19% open · ⏱️ 29.03.2026):
- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 73 · 🔀 180 · 📥 2.1K · 📦 8 · 📋 340 - 11% open · ⏱️ 15.04.2026):

```
git clone https://github.com/deepmodeling/dpdispatcher
```
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.8K / month):
```
pip install dpdispatcher
git clone https://github.com/deepmodeling/dpgen
```
- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 42K · ⏱️ 25.02.2026):
- [PyPi](https://pypi.org/project/dpgen) (📥 630 / month):
```
conda install -c conda-forge dpdispatcher
pip install dpgen
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 150K · ⏱️ 29.03.2026):
- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 51K · ⏱️ 07.08.2025):
```
docker pull dptechnology/dpdispatcher
conda install -c conda-forge dpgen
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgen">DP-GEN</a></b> (🥈22 · ⭐ 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>
<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/dpgen) (👨‍💻 73 · 🔀 180 · 📥 2.1K · 📋 340 - 11% open · ⏱️ 06.04.2026):
- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 49 · 🔀 58 · 📦 70 · 📋 99 - 19% open · ⏱️ 10.04.2026):

```
git clone https://github.com/deepmodeling/dpgen
git clone https://github.com/deepmodeling/dpdispatcher
```
- [PyPi](https://pypi.org/project/dpgen) (📥 660 / month):
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 3K / month):
```
pip install dpgen
pip install dpdispatcher
```
- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 50K · ⏱️ 07.08.2025):
- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 42K · ⏱️ 25.02.2026):
```
conda install -c conda-forge dpgen
conda install -c conda-forge dpdispatcher
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 150K · ⏱️ 29.03.2026):
```
docker pull dptechnology/dpdispatcher
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈20 · ⭐ 97) - an automatic reaction network generator for reactive molecular dynamics simulation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
Expand All @@ -143,7 +143,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
```
git clone https://github.com/deepmodeling/reacnetgenerator
```
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2.5K / month):
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2.4K / month):
```
pip install reacnetgenerator
```
Expand All @@ -163,7 +163,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
```
pip install dargs
```
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 63K · ⏱️ 25.02.2026):
- [Conda](https://anaconda.org/conda-forge/dargs) (📥 64K · ⏱️ 25.02.2026):
```
conda install -c conda-forge dargs
```
Expand Down Expand Up @@ -198,12 +198,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
</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 · 📋 46 - 39% open · ⏱️ 04.04.2026):
- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 19 · 🔀 36 · 📦 6 · 📋 46 - 39% open · ⏱️ 10.04.2026):

```
git clone https://github.com/deepmodeling/dpgen2
```
- [PyPi](https://pypi.org/project/dpgen2) (📥 94 / month):
- [PyPi](https://pypi.org/project/dpgen2) (📥 77 / month):
```
pip install dpgen2
```
Expand All @@ -212,64 +212,64 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
docker pull dptechnology/dpgen2
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈15 · ⭐ 45 · 💤) - 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/jax-fem">JAX-FEM</a></b> (🥈15 · ⭐ 640 · 📈) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 27 · 📦 4 · 📋 10 - 10% open · ⏱️ 10.04.2025):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 17 · 🔀 110 · 📦 3 · 📋 71 - 35% open · ⏱️ 14.04.2026):

```
git clone https://github.com/deepmodeling/APEX
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/apex-flow) (📥 150 / month):
- [PyPi](https://pypi.org/project/jax-fem) (📥 750 / month):
```
pip install apex-flow
pip install jax-fem
```
</details>
<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>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈14 · ⭐ 110) - 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/dpgui) (👨‍💻 4 · 🔀 5 · 📦 13 · ⏱️ 26.08.2025):
- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 15 · 🔀 29 · 📦 4 · 📋 60 - 33% open · ⏱️ 19.03.2026):

```
git clone https://github.com/deepmodeling/dpgui
git clone https://github.com/deepmodeling/DeePTB
```
- [PyPi](https://pypi.org/project/dpgui) (📥 68K / month):
- [PyPi](https://pypi.org/project/dptb) (📥 130 / month):
```
pip install dpgui
pip install dptb
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 640) - 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/DMFF">DMFF</a></b> (🥈13 · ⭐ 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/jax-fem) (👨‍💻 17 · 🔀 110 · 📦 3 · 📋 71 - 35% open · ⏱️ 08.02.2026):
- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 17 · 🔀 48 · 📋 28 - 28% open · ⏱️ 07.04.2026):

```
git clone https://github.com/deepmodeling/jax-fem
git clone https://github.com/deepmodeling/DMFF
```
- [PyPi](https://pypi.org/project/jax-fem) (📥 620 / month):
- [Conda](https://anaconda.org/conda-forge/dmff) (📥 3.1K · ⏱️ 22.04.2025):
```
pip install jax-fem
conda install -c conda-forge dmff
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈14 · ⭐ 100 · 📉) - 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/APEX">APEX</a></b> (🥈13 · ⭐ 45 · 💤) - APEX: Alloy Properties EXplorer using simulations. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 15 · 🔀 29 · 📦 4 · 📋 60 - 33% open · ⏱️ 19.03.2026):
- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 27 · 📋 10 - 10% open · ⏱️ 10.04.2025):

```
git clone https://github.com/deepmodeling/DeePTB
git clone https://github.com/deepmodeling/APEX
```
- [PyPi](https://pypi.org/project/dptb) (📥 140 / month):
- [PyPi](https://pypi.org/project/apex-flow) (📥 120 / month):
```
pip install dptb
pip install apex-flow
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈13 · ⭐ 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/dpgui">DP-GUI</a></b> (🥈13 · ⭐ 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/DMFF) (👨‍💻 17 · 🔀 46 · 📋 28 - 28% open · ⏱️ 07.04.2026):
- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · ⏱️ 26.08.2025):

```
git clone https://github.com/deepmodeling/DMFF
git clone https://github.com/deepmodeling/dpgui
```
- [Conda](https://anaconda.org/conda-forge/dmff) (📥 3.1K · ⏱️ 22.04.2025):
- [PyPi](https://pypi.org/project/dpgui) (📥 67K / month):
```
conda install -c conda-forge dmff
pip install dpgui
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/rid-kit">rid-kit</a></b> (🥉12 · ⭐ 52 · 💤) - Reinforced dynamics. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
Expand All @@ -279,7 +279,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
```
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/rid-kit) (📥 58 / month):
- [PyPi](https://pypi.org/project/rid-kit) (📥 33 / month):
```
pip install rid-kit
```
Expand All @@ -299,19 +299,19 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
```
git clone https://github.com/deepmodeling/deepmodeling_sphinx
```
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.4K / month):
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.3K / month):
```
pip install deepmodeling_sphinx
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉10 · ⭐ 35 · 💤) - 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 · ⭐ 36) - 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 · 🔀 23 · 📦 2 · 📋 10 - 90% open · ⏱️ 15.03.2025):
- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 17 · 🔀 23 · 📦 2 · 📋 10 - 90% open · ⏱️ 15.04.2026):

```
git clone https://github.com/deepmodeling/dpti
```
- [PyPi](https://pypi.org/project/dpti) (📥 25 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 32 / month):
```
pip install dpti
```
Expand All @@ -323,7 +323,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
```
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 450 / month):
- [PyPi](https://pypi.org/project/fealpy) (📥 420 / month):
```
pip install fealpy
```
Expand All @@ -343,7 +343,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
```
git clone https://github.com/deepmodeling/fpop
```
- [PyPi](https://pypi.org/project/fpop) (📥 340 / month):
- [PyPi](https://pypi.org/project/fpop) (📥 300 / month):
```
pip install fpop
```
Expand All @@ -355,22 +355,22 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
```
git clone https://github.com/deepmodeling/args
```
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 32 / month):
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 44 / month):
```
npm install @deepmodeling/args
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/AIS-Square">AIS-Square</a></b> (🥉8 · ⭐ 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 · ⏱️ 03.04.2026):
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 9 · 📋 6 - 83% open · ⏱️ 13.04.2026):

```
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>

- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 11 · 🔀 10 · ⏱️ 04.02.2026):
- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 11 · 🔀 9 · ⏱️ 04.02.2026):

```
git clone https://github.com/deepmodeling/blog
Expand Down Expand Up @@ -444,7 +444,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K
git clone https://github.com/deepmodeling/DeepH-pack
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePDih">DeePDih</a></b> (🥉4 · ⭐ 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> (🥉4 · ⭐ 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) (👨‍💻 2 · 🔀 3 · 📥 7 · ⏱️ 07.04.2026):

Expand Down
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Original file line number Diff line number Diff line change
@@ -0,0 +1,15 @@
## 📈 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/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>
- <b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈15 · ⭐ 640 · 📈) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-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/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>
- <b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈13 · ⭐ 45 · 💤) - APEX: Alloy Properties EXplorer using simulations. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code>
- <b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈13 · ⭐ 9 · 💤) - A web-based GUI for user inputs. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code>

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