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Best-of update: 2025.07.24 #105

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78 changes: 39 additions & 39 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 4.2K

<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 · 🔀 530 · 📥 56K · 📦 35 · 📋 900 - 9% open · ⏱️ 11.06.2025):
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 79 · 🔀 540 · 📥 57K · 📦 36 · 📋 900 - 9% open · ⏱️ 11.06.2025):

```
git clone https://github.com/deepmodeling/deepmd-kit
```
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 18K / month):
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 14K / month):
```
pip install deepmd-kit
```
- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2M · ⏱️ 11.06.2025):
```
conda install -c conda-forge deepmd-kit
```
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 30 / month):
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 28 / month):
```
npm install deepmd-kit
```
Expand All @@ -68,9 +68,9 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
docker pull deepmodeling/deepmd-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇24 · ⭐ 200) - 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 · ⭐ 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 · 🔀 140 · 📋 2.3K - 5% open · ⏱️ 14.07.2025):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.3K - 5% open · ⏱️ 23.07.2025):

```
git clone https://github.com/deepmodeling/abacus-develop
Expand All @@ -87,7 +87,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/dpgen
```
- [PyPi](https://pypi.org/project/dpgen) (📥 610 / month):
- [PyPi](https://pypi.org/project/dpgen) (📥 580 / month):
```
pip install dpgen
```
Expand All @@ -103,7 +103,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/dpdata
```
- [PyPi](https://pypi.org/project/dpdata) (📥 28K / month):
- [PyPi](https://pypi.org/project/dpdata) (📥 22K / month):
```
pip install dpdata
```
Expand All @@ -118,12 +118,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥈21 · ⭐ 51) - 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 · 🔀 54 · 📦 65 · 📋 86 - 23% open · ⏱️ 24.06.2025):
- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 55 · 📦 65 · 📋 86 - 23% open · ⏱️ 24.06.2025):

```
git clone https://github.com/deepmodeling/dpdispatcher
```
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 1.4K / month):
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 1.5K / month):
```
pip install dpdispatcher
```
Expand All @@ -136,14 +136,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
docker pull dptechnology/dpdispatcher
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈20 · ⭐ 90) - 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> (🥈20 · ⭐ 91) - 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 · ⏱️ 20.06.2025):

```
git clone https://github.com/deepmodeling/reacnetgenerator
```
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2.8K / month):
- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 3K / month):
```
pip install reacnetgenerator
```
Expand All @@ -154,7 +154,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈19 · ⭐ 71) - 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 · ⏱️ 08.07.2025):
- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 28 · 📋 36 - 38% open · ⏱️ 20.07.2025):

```
git clone https://github.com/deepmodeling/dflow
Expand All @@ -167,27 +167,27 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
conda install -c conda-forge dflow
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 13K · ⏱️ 08.07.2025):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 13K · ⏱️ 20.07.2025):
```
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) (👨‍💻 28 · 🔀 69 · 📋 51 - 43% open · ⏱️ 26.06.2025):
- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 29 · 🔀 70 · 📋 51 - 41% 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> (🥈18 · ⭐ 82 · 📈) - 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> (🥈18 · ⭐ 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>

- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 11 · 🔀 21 · 📦 4 · 📋 51 - 33% open · ⏱️ 12.07.2025):
- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 11 · 🔀 21 · 📦 4 · 📋 51 - 33% open · ⏱️ 20.07.2025):

```
git clone https://github.com/deepmodeling/DeePTB
```
- [PyPi](https://pypi.org/project/dptb) (📥 170 / month):
- [PyPi](https://pypi.org/project/dptb) (📥 180 / month):
```
pip install dptb
```
Expand All @@ -199,7 +199,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/dargs
```
- [PyPi](https://pypi.org/project/dargs) (📥 50K / month):
- [PyPi](https://pypi.org/project/dargs) (📥 39K / month):
```
pip install dargs
```
Expand All @@ -208,26 +208,26 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
conda install -c conda-forge dargs
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈16 · ⭐ 440 · 📈) - 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> (🥈16 · ⭐ 440) - 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) (👨‍💻 10 · 🔀 74 · 📦 3 · 📋 55 - 56% open · ⏱️ 14.07.2025):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 75 · 📦 3 · 📋 55 - 56% open · ⏱️ 20.07.2025):

```
git clone https://github.com/deepmodeling/jax-fem
```
- [PyPi](https://pypi.org/project/jax-fem) (📥 460 / month):
- [PyPi](https://pypi.org/project/jax-fem) (📥 390 / month):
```
pip install jax-fem
```
</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) (👨‍💻 15 · 🔀 33 · 📦 6 · 📋 35 - 34% open · ⏱️ 11.07.2025):
- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 15 · 🔀 34 · 📦 6 · 📋 35 - 34% open · ⏱️ 11.07.2025):

```
git clone https://github.com/deepmodeling/dpgen2
```
- [PyPi](https://pypi.org/project/dpgen2) (📥 72 / month):
- [PyPi](https://pypi.org/project/dpgen2) (📥 59 / month):
```
pip install dpgen2
```
Expand All @@ -236,14 +236,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
docker pull dptechnology/dpgen2
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈15 · ⭐ 34) - 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> (🥈15 · ⭐ 36) - 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 · 🔀 22 · 📦 4 · 📋 9 - 11% open · ⏱️ 10.04.2025):

```
git clone https://github.com/deepmodeling/APEX
```
- [PyPi](https://pypi.org/project/apex-flow) (📥 240 / month):
- [PyPi](https://pypi.org/project/apex-flow) (📥 340 / month):
```
pip install apex-flow
```
Expand All @@ -255,7 +255,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/DMFF
```
- [Conda](https://anaconda.org/conda-forge/dmff) (📥 2.2K · ⏱️ 22.04.2025):
- [Conda](https://anaconda.org/conda-forge/dmff) (📥 2.3K · ⏱️ 22.04.2025):
```
conda install -c conda-forge dmff
```
Expand All @@ -267,7 +267,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/dpgui
```
- [PyPi](https://pypi.org/project/dpgui) (📥 23K / month):
- [PyPi](https://pypi.org/project/dpgui) (📥 18K / month):
```
pip install dpgui
```
Expand All @@ -279,7 +279,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/deepmodeling_sphinx
```
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.5K / month):
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.3K / month):
```
pip install deepmodeling_sphinx
```
Expand All @@ -291,12 +291,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/rid-kit) (📥 58 / month):
- [PyPi](https://pypi.org/project/rid-kit) (📥 19 / month):
```
pip install rid-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉11 · ⭐ 8 · 📉) - 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> (🥉11 · ⭐ 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 All @@ -311,7 +311,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 400 / month):
- [PyPi](https://pypi.org/project/fealpy) (📥 380 / month):
```
pip install fealpy
```
Expand All @@ -323,14 +323,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/args
```
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 210 / month):
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 180 / month):
```
npm install @deepmodeling/args
```
</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 · ⏱️ 03.07.2025):
- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 18.07.2025):

```
git clone https://github.com/deepmodeling/blog
Expand Down Expand Up @@ -359,14 +359,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/dpti
```
- [PyPi](https://pypi.org/project/dpti) (📥 6 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 4 / month):
```
pip install dpti
```
</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 · ⏱️ 16.07.2025):
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 22.07.2025):

```
git clone https://github.com/deepmodeling/AIS-Square
Expand All @@ -379,7 +379,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/fpop
```
- [PyPi](https://pypi.org/project/fpop) (📥 430 / month):
- [PyPi](https://pypi.org/project/fpop) (📥 440 / month):
```
pip install fpop
```
Expand All @@ -391,7 +391,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
```
git clone https://github.com/deepmodeling/Uni-Fold
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 950 · ⏱️ 08.01.2024):
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 1.1K · ⏱️ 08.01.2024):
```
docker pull dptechnology/unifold
```
Expand Down Expand Up @@ -420,7 +420,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
git clone https://github.com/deepmodeling/docs
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/AI4Science101">AI4Science101</a></b> (🥉5 · ⭐ 95 · 💤) - AI for Science. <code>Unlicensed</code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/AI4Science101">AI4Science101</a></b> (🥉5 · ⭐ 96 · 💤) - AI for Science. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 15 · ⏱️ 04.09.2022):

Expand All @@ -430,7 +430,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePDih">DeePDih</a></b> (🥉5 · ⭐ 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) (🔀 3 · 📥 4 · ⏱️ 14.07.2025):
- [GitHub](https://github.com/deepmodeling/DeePDih) (🔀 3 · 📥 6 · ⏱️ 14.07.2025):

```
git clone https://github.com/deepmodeling/DeePDih
Expand Down
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