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Best-of update: 2024.02.01
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njzjz authored Feb 1, 2024
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Expand Up @@ -44,38 +44,38 @@ This curated list contains 34 awesome open-source projects with a total of 2.8K

<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> (🥇29 · ⭐ 1.3K · 📈) - 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> (🥇29 · ⭐ 1.3K) - 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) (👨‍💻 65 · 🔀 440 · 📥 31K · 📦 12 · 📋 500 - 6% open · ⏱️ 23.01.2024):
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 65 · 🔀 450 · 📥 32K · 📦 13 · 📋 500 - 6% open · ⏱️ 23.01.2024):

```
git clone https://github.com/deepmodeling/deepmd-kit
```
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 1.2K / month):
- [PyPi](https://pypi.org/project/deepmd-kit) (📥 1.3K / month):
```
pip install deepmd-kit
```
- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 450K · ⏱️ 23.01.2024):
```
conda install -c conda-forge deepmd-kit
```
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 27 / month):
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 24 / month):
```
npm install deepmd-kit
```
- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 2.1K · ⭐ 1 · ⏱️ 29.10.2023):
- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 2.1K · ⭐ 1 · ⏱️ 28.01.2024):
```
docker pull deepmodeling/deepmd-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇23 · ⭐ 170 · 📈) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. <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> (🥇23 · ⭐ 170) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 51 · 🔀 110 · 📦 110 · 📋 80 - 12% open · ⏱️ 31.10.2023):
- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 51 · 🔀 110 · 📦 110 · 📋 81 - 13% open · ⏱️ 31.10.2023):

```
git clone https://github.com/deepmodeling/dpdata
```
- [PyPi](https://pypi.org/project/dpdata) (📥 7.1K / month):
- [PyPi](https://pypi.org/project/dpdata) (📥 12K / month):
```
pip install dpdata
```
Expand All @@ -88,14 +88,14 @@ This curated list contains 34 awesome open-source projects with a total of 2.8K
docker pull dptechnology/dpdata
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgen">DP-GEN</a></b> (🥇22 · ⭐ 260 · 📉) - 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/dpgen">DP-GEN</a></b> (🥇22 · ⭐ 260) - 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) (👨‍💻 62 · 🔀 160 · 📥 1.6K · 📦 4 · 📋 260 - 8% open · ⏱️ 02.11.2023):

```
git clone https://github.com/deepmodeling/dpgen
```
- [PyPi](https://pypi.org/project/dpgen) (📥 370 / month):
- [PyPi](https://pypi.org/project/dpgen) (📥 400 / month):
```
pip install dpgen
```
Expand All @@ -106,19 +106,19 @@ This curated list contains 34 awesome open-source projects with a total of 2.8K
</details>
<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇22 · ⭐ 140) - 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) (👨‍💻 91 · 🔀 87 · 📋 1.1K - 12% open · ⏱️ 25.01.2024):
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 91 · 🔀 87 · 📋 1.1K - 12% open · ⏱️ 01.02.2024):

```
git clone https://github.com/deepmodeling/abacus-develop
```
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 14K · ⏱️ 16.01.2024):
- [Conda](https://anaconda.org/conda-forge/abacus) (📥 15K · ⏱️ 01.02.2024):
```
conda install -c conda-forge abacus
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥇22 · ⭐ 36) - 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) (👨‍💻 43 · 🔀 48 · 📦 43 · 📋 63 - 19% open · ⏱️ 22.01.2024):
- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 43 · 🔀 48 · 📦 43 · 📋 64 - 20% open · ⏱️ 22.01.2024):

```
git clone https://github.com/deepmodeling/dpdispatcher
Expand All @@ -127,7 +127,7 @@ This curated list contains 34 awesome open-source projects with a total of 2.8K
```
pip install dpdispatcher
```
- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 6.4K · ⏱️ 21.01.2024):
- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 6.5K · ⏱️ 21.01.2024):
```
conda install -c conda-forge dpdispatcher
```
Expand All @@ -136,7 +136,7 @@ This curated list contains 34 awesome open-source projects with a total of 2.8K
docker pull dptechnology/dpdispatcher
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈17 · ⭐ 45) - 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> (🥈17 · ⭐ 47) - 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) (👨‍💻 21 · 🔀 20 · 📋 34 - 38% open · ⏱️ 15.01.2024):

Expand Down Expand Up @@ -164,26 +164,26 @@ This curated list contains 34 awesome open-source projects with a total of 2.8K
git clone https://github.com/deepmodeling/deepflame-dev
```
</details>
<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>
<details><summary><b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈16 · ⭐ 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) (👨‍💻 3 · 🔀 4 · 📦 5 · ⏱️ 24.01.2024):

```
git clone https://github.com/deepmodeling/dpgui
```
- [PyPi](https://pypi.org/project/dpgui) (📥 7.7K / month):
- [PyPi](https://pypi.org/project/dpgui) (📥 12K / month):
```
pip install dpgui
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dargs">dargs</a></b> (🥈15 · ⭐ 5 · 📉) - Argument processing for the deep modeling project. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/dargs">dargs</a></b> (🥈16 · ⭐ 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) (👨‍💻 5 · 🔀 1 · 📦 110 · 📋 7 - 14% open · ⏱️ 01.11.2023):

```
git clone https://github.com/deepmodeling/dargs
```
- [PyPi](https://pypi.org/project/dargs) (📥 13K / month):
- [PyPi](https://pypi.org/project/dargs) (📥 19K / month):
```
pip install dargs
```
Expand All @@ -199,67 +199,55 @@ This curated list contains 34 awesome open-source projects with a total of 2.8K
```
git clone https://github.com/deepmodeling/DMFF
```
- [Conda](https://anaconda.org/conda-forge/dmff) (📥 80 · ⏱️ 06.01.2024):
- [Conda](https://anaconda.org/conda-forge/dmff) (📥 97 · ⏱️ 06.01.2024):
```
conda install -c conda-forge dmff
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/rid-kit">rid-kit</a></b> (🥈12 · ⭐ 41) - Reinforced dynamics. <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> (🥈12 · ⭐ 25) - 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/rid-kit) (👨‍💻 14 · 🔀 20 · 📥 140 · ⏱️ 22.09.2023):

```
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/rid-kit) (📥 86 / month):
```
pip install rid-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈12 · ⭐ 25 · 🐣) - 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) (👨‍💻 5 · 🔀 9 · 📋 19 - 26% open · ⏱️ 08.01.2024):
- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 5 · 🔀 9 · 📋 19 - 26% open · ⏱️ 01.02.2024):

```
git clone https://github.com/deepmodeling/DeePTB
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpgen2">DPGEN2</a></b> (🥈12 · ⭐ 21) - 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> (🥈12 · ⭐ 23) - 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) (👨‍💻 10 · 🔀 14 · 📦 1 · 📋 21 - 38% open · ⏱️ 19.12.2023):
- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 10 · 🔀 15 · 📦 1 · 📋 23 - 43% open · ⏱️ 30.01.2024):

```
git clone https://github.com/deepmodeling/dpgen2
```
- [PyPi](https://pypi.org/project/dpgen2) (📥 65 / month):
- [PyPi](https://pypi.org/project/dpgen2) (📥 71 / month):
```
pip install dpgen2
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 2.4K · ⏱️ 19.12.2023):
- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 2.4K · ⏱️ 30.01.2024):
```
docker pull dptechnology/dpgen2
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈12 · ⭐ 10) - 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/rid-kit">rid-kit</a></b> (🥈11 · ⭐ 41 · 📉) - Reinforced dynamics. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 4 · 🔀 9 · ⏱️ 17.11.2023):
- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 20 · 📥 140 · ⏱️ 22.09.2023):

```
git clone https://github.com/deepmodeling/APEX
git clone https://github.com/deepmodeling/rid-kit
```
- [PyPi](https://pypi.org/project/apex-flow) (📥 43 / month):
- [PyPi](https://pypi.org/project/rid-kit) (📥 88 / month):
```
pip install apex-flow
pip install rid-kit
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/deepmodeling_sphinx">deepmodeling_sphinx</a></b> (🥈12 · ⭐ 2) - 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> (🥈11 · ⭐ 2 · 📉) - 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) (👨‍💻 5 · 🔀 5 · ⏱️ 17.12.2023):

```
git clone https://github.com/deepmodeling/deepmodeling_sphinx
```
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.8K / month):
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.1K / month):
```
pip install deepmodeling_sphinx
```
Expand All @@ -272,70 +260,82 @@ This curated list contains 34 awesome open-source projects with a total of 2.8K
git clone https://github.com/deepmodeling/deepks-kit
```
</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/APEX">APEX</a></b> (🥉10 · ⭐ 10 · 📉) - 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) (👨‍💻 4 · 🔀 9 · ⏱️ 17.11.2023):

```
git clone https://github.com/deepmodeling/APEX
```
- [PyPi](https://pypi.org/project/apex-flow) (📥 56 / month):
```
pip install apex-flow
```
</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>

- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 2 · 🔀 1 · 📦 5 · ⏱️ 22.01.2024):

```
git clone https://github.com/deepmodeling/args
```
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 320 / month):
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 300 / month):
```
npm install @deepmodeling/args
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥉9 · ⭐ 59 · 🐣) - 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> (🥉9 · ⭐ 64 · 🐣) - 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) (👨‍💻 7 · 🔀 10 · 📋 16 - 81% open · ⏱️ 20.01.2024):
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 7 · 🔀 13 · 📋 16 - 81% open · ⏱️ 20.01.2024):

```
git clone https://github.com/deepmodeling/jax-fem
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉9 · ⭐ 15) - 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> (🥉9 · ⭐ 15 · 💤) - 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) (👨‍💻 13 · 🔀 17 · ⏱️ 05.07.2023):

```
git clone https://github.com/deepmodeling/dpti
```
- [PyPi](https://pypi.org/project/dpti) (📥 31 / month):
- [PyPi](https://pypi.org/project/dpti) (📥 25 / month):
```
pip install dpti
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/fealpy">fealpy</a></b> (🥉9 · ⭐ 2) - Finite Element Analysis Library in Python. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 57 · ⏱️ 20.11.2023):

```
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 49 / month):
```
pip install fealpy
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/Uni-Fold">Uni-Fold</a></b> (🥉8 · ⭐ 90 · 💤) - <code><a href="http://bit.ly/3nYMfla">Apache-2</a></code></summary>

- [GitHub](https://github.com/deepmodeling/Uni-Fold) (👨‍💻 3 · 🔀 18 · ⏱️ 18.08.2022):

```
git clone https://github.com/deepmodeling/Uni-Fold
```
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 550 · ⏱️ 08.01.2024):
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 560 · ⏱️ 08.01.2024):
```
docker pull dptechnology/unifold
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/AIS-Square">AIS-Square</a></b> (🥉8 · ⭐ 7) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 5 · 📋 5 - 80% open · ⏱️ 06.12.2023):
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 6 · 📋 5 - 80% open · ⏱️ 06.12.2023):

```
git clone https://github.com/deepmodeling/AIS-Square
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/fealpy">fealpy</a></b> (🥉8 · ⭐ 2 · 📉) - Finite Element Analysis Library in Python. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 57 · ⏱️ 20.11.2023):

```
git clone https://github.com/deepmodeling/fealpy
```
- [PyPi](https://pypi.org/project/fealpy) (📥 53 / month):
```
pip install fealpy
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/blog">Blog</a></b> (🥉8 · ⭐ 1) - DeepModeling Blog. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 5 · 🔀 5 · ⏱️ 19.01.2024):
Expand Down Expand Up @@ -367,7 +367,7 @@ This curated list contains 34 awesome open-source projects with a total of 2.8K
```
git clone https://github.com/deepmodeling/fpop
```
- [PyPi](https://pypi.org/project/fpop) (📥 170 / month):
- [PyPi](https://pypi.org/project/fpop) (📥 270 / month):
```
pip install fpop
```
Expand All @@ -380,7 +380,7 @@ This curated list contains 34 awesome open-source projects with a total of 2.8K
git clone https://github.com/deepmodeling/AI4Science101
```
</details>
<details><summary><b><a href="https://github.com/deepmodeling/tutorials">tutorials</a></b> (🥉5 · ⭐ 12 · 💤) - Tutorials for DeepModeling projects. <code>Unlicensed</code></summary>
<details><summary><b><a href="https://github.com/deepmodeling/tutorials">tutorials</a></b> (🥉4 · ⭐ 12 · 💤) - Tutorials for DeepModeling projects. <code>Unlicensed</code></summary>

- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 10 · 🔀 20 · ⏱️ 26.09.2022):

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