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README.md

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<p align="center">
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<a href="https://best-of.org" title="Best-of Badge"><img src="http://bit.ly/3o3EHNN"></a>
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<a href="#Contents" title="Project Count"><img src="https://img.shields.io/badge/projects-33-blue.svg?color=5ac4bf"></a>
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<a href="#Contents" title="Project Count"><img src="https://img.shields.io/badge/projects-34-blue.svg?color=5ac4bf"></a>
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<a href="#Contribution" title="Contributions are welcome"><img src="https://img.shields.io/badge/contributions-welcome-green.svg"></a>
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<a href="https://github.com/deepmodeling/deepmodeling-projects/releases" title="Best-of Updates"><img src="https://img.shields.io/github/release-date/deepmodeling/deepmodeling-projects?color=green&label=updated"></a>
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</p>
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This curated list contains 33 awesome open-source projects with a total of 2.7K stars grouped into 0 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [issue](https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose), submit a [pull request](https://github.com/deepmodeling/deepmodeling-projects/pulls), or directly edit the [projects.yaml](https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml). Contributions are very welcome!
18+
This curated list contains 34 awesome open-source projects with a total of 2.8K stars grouped into 0 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [issue](https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose), submit a [pull request](https://github.com/deepmodeling/deepmodeling-projects/pulls), or directly edit the [projects.yaml](https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml). Contributions are very welcome!
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> 🧙‍♂️ Discover other [best-of lists](https://best-of.org) or [create your own](https://github.com/best-of-lists/best-of/blob/main/create-best-of-list.md).
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## Contents
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- [Others](#others) _33 projects_
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- [Others](#others) _34 projects_
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## Explanation
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- 🥇🥈🥉&nbsp; Combined project-quality score
@@ -44,22 +44,22 @@ This curated list contains 33 awesome open-source projects with a total of 2.7K
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<a href="#contents"><img align="right" width="15" height="15" src="https://git.io/JtehR" alt="Back to top"></a>
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<details><summary><b><a href="https://github.com/deepmodeling/deepmd-kit">DeePMD-kit</a></b> (🥇27 · ⭐ 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>
47+
<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>
4848

49-
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 64 · 🔀 440 · 📥 31K · 📦 12 · 📋 500 - 7% open · ⏱️ 27.10.2023):
49+
- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 65 · 🔀 440 · 📥 31K · 📦 12 · 📋 500 - 6% open · ⏱️ 23.01.2024):
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```
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git clone https://github.com/deepmodeling/deepmd-kit
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```
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- [PyPi](https://pypi.org/project/deepmd-kit) (📥 990 / month):
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- [PyPi](https://pypi.org/project/deepmd-kit) (📥 1.2K / month):
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```
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pip install deepmd-kit
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```
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- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 450K · ⏱️ 14.01.2024):
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- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 450K · ⏱️ 23.01.2024):
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```
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conda install -c conda-forge deepmd-kit
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```
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- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 29 / month):
62+
- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 27 / month):
6363
```
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npm install deepmd-kit
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```
@@ -68,70 +68,70 @@ This curated list contains 33 awesome open-source projects with a total of 2.7K
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docker pull deepmodeling/deepmd-kit
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/dpgen">DP-GEN</a></b> (🥇23 · ⭐ 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>
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<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>
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- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 62 · 🔀 160 · 📥 1.6K · 📦 4 · 📋 260 - 8% open · ⏱️ 02.11.2023):
73+
- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 51 · 🔀 110 · 📦 110 · 📋 80 - 12% open · ⏱️ 31.10.2023):
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```
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git clone https://github.com/deepmodeling/dpgen
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git clone https://github.com/deepmodeling/dpdata
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```
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- [PyPi](https://pypi.org/project/dpgen) (📥 410 / month):
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- [PyPi](https://pypi.org/project/dpdata) (📥 7.1K / month):
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```
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pip install dpgen
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pip install dpdata
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```
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- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 27K · ⏱️ 02.11.2023):
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- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 64K · ⏱️ 31.10.2023):
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```
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conda install -c conda-forge dpgen
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conda install -c conda-forge dpdata
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```
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 78 · ⏱️ 02.06.2023):
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```
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docker pull dptechnology/dpdata
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇22 · ⭐ 160) - 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>
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<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>
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- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 51 · 🔀 110 · 📦 110 · 📋 80 - 12% open · ⏱️ 31.10.2023):
93+
- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 62 · 🔀 160 · 📥 1.6K · 📦 4 · 📋 260 - 8% open · ⏱️ 02.11.2023):
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```
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git clone https://github.com/deepmodeling/dpdata
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```
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- [PyPi](https://pypi.org/project/dpdata) (📥 5.8K / month):
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```
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pip install dpdata
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git clone https://github.com/deepmodeling/dpgen
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```
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- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 64K · ⏱️ 31.10.2023):
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- [PyPi](https://pypi.org/project/dpgen) (📥 370 / month):
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```
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conda install -c conda-forge dpdata
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pip install dpgen
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```
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 74 · ⏱️ 02.06.2023):
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- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 27K · ⏱️ 02.11.2023):
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```
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docker pull dptechnology/dpdata
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conda install -c conda-forge dpgen
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇22 · ⭐ 130) - 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>
107+
<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>
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- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 90 · 🔀 88 · 📋 1.1K - 12% open · ⏱️ 18.01.2024):
109+
- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 91 · 🔀 87 · 📋 1.1K - 12% open · ⏱️ 25.01.2024):
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```
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git clone https://github.com/deepmodeling/abacus-develop
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```
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- [Conda](https://anaconda.org/conda-forge/abacus) (📥 13K · ⏱️ 16.01.2024):
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- [Conda](https://anaconda.org/conda-forge/abacus) (📥 14K · ⏱️ 16.01.2024):
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```
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conda install -c conda-forge abacus
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```
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</details>
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<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>
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- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 43 · 🔀 47 · 📦 43 · 📋 63 - 20% open · ⏱️ 31.12.2023):
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- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 43 · 🔀 48 · 📦 43 · 📋 63 - 19% open · ⏱️ 22.01.2024):
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```
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git clone https://github.com/deepmodeling/dpdispatcher
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```
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- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2K / month):
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- [PyPi](https://pypi.org/project/dpdispatcher) (📥 1.9K / month):
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```
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pip install dpdispatcher
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```
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- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 6.3K · ⏱️ 21.11.2023):
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- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 6.4K · ⏱️ 21.01.2024):
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```
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conda install -c conda-forge dpdispatcher
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```
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 86K · ⏱️ 20.11.2023):
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 87K · ⏱️ 21.01.2024):
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```
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/deepflame-dev">DeepFlame</a></b> (🥈16 · ⭐ 110) - A deep learning empowered open-source platform for reacting flow simulations. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 20 · 🔀 53 · 📋 40 - 32% open · ⏱️ 04.01.2024):
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- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 20 · 🔀 53 · 📋 41 - 34% open · ⏱️ 04.01.2024):
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```
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈16 · ⭐ 6) - A web-based GUI for user inputs. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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<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>
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- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 3 · 🔀 4 · 📦 4 · ⏱️ 18.01.2024):
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- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 3 · 🔀 4 · 📦 5 · ⏱️ 24.01.2024):
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```
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git clone https://github.com/deepmodeling/dpgui
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```
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- [PyPi](https://pypi.org/project/dpgui) (📥 5.4K / month):
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- [PyPi](https://pypi.org/project/dpgui) (📥 7.7K / month):
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```
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pip install dpgui
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```
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</details>
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<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>
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<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>
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- [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 5 · 🔀 1 · 📦 110 · 📋 7 - 14% open · ⏱️ 01.11.2023):
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```
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git clone https://github.com/deepmodeling/dargs
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```
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- [PyPi](https://pypi.org/project/dargs) (📥 9.6K / month):
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- [PyPi](https://pypi.org/project/dargs) (📥 13K / month):
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```
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pip install dargs
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```
@@ -199,7 +199,7 @@ This curated list contains 33 awesome open-source projects with a total of 2.7K
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```
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git clone https://github.com/deepmodeling/DMFF
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```
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- [Conda](https://anaconda.org/conda-forge/dmff) (📥 69 · ⏱️ 06.01.2024):
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- [Conda](https://anaconda.org/conda-forge/dmff) (📥 80 · ⏱️ 06.01.2024):
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```
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conda install -c conda-forge dmff
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```
@@ -211,7 +211,7 @@ This curated list contains 33 awesome open-source projects with a total of 2.7K
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```
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git clone https://github.com/deepmodeling/rid-kit
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```
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- [PyPi](https://pypi.org/project/rid-kit) (📥 90 / month):
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- [PyPi](https://pypi.org/project/rid-kit) (📥 86 / month):
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```
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pip install rid-kit
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```
@@ -231,7 +231,7 @@ This curated list contains 33 awesome open-source projects with a total of 2.7K
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```
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git clone https://github.com/deepmodeling/dpgen2
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```
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- [PyPi](https://pypi.org/project/dpgen2) (📥 66 / month):
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- [PyPi](https://pypi.org/project/dpgen2) (📥 65 / month):
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```
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```
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```
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git clone https://github.com/deepmodeling/APEX
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```
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- [PyPi](https://pypi.org/project/apex-flow) (📥 42 / month):
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- [PyPi](https://pypi.org/project/apex-flow) (📥 43 / month):
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```
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pip install apex-flow
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```
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pip install deepmodeling_sphinx
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```
266266
</details>
267-
<details><summary><b><a href="https://github.com/deepmodeling/args">args</a></b> (🥉11 · ⭐ 2) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
267+
<details><summary><b><a href="https://github.com/deepmodeling/deepks-kit">DeePKS-kit</a></b> (🥉10 · ⭐ 96 · 💤) - a package for developing machine learning-based chemically accurate energy and density functional models. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
268268

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- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 2 · 🔀 1 · 📦 5 · ⏱️ 27.11.2023):
269+
- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 6 · 🔀 31 · 📋 14 - 14% open · ⏱️ 01.04.2023):
270+
271+
```
272+
git clone https://github.com/deepmodeling/deepks-kit
273+
```
274+
</details>
275+
<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>
276+
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- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 2 · 🔀 1 · 📦 5 · ⏱️ 22.01.2024):
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```
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git clone https://github.com/deepmodeling/args
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```
274-
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 280 / month):
282+
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 320 / month):
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```
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npm install @deepmodeling/args
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```
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</details>
279-
<details><summary><b><a href="https://github.com/deepmodeling/deepks-kit">DeePKS-kit</a></b> (🥉10 · ⭐ 96 · 💤) - a package for developing machine learning-based chemically accurate energy and density functional models. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
287+
<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>
280288

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- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 6 · 🔀 31 · 📋 13 - 7% open · ⏱️ 01.04.2023):
289+
- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 7 · 🔀 10 · 📋 16 - 81% open · ⏱️ 20.01.2024):
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```
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git clone https://github.com/deepmodeling/deepks-kit
292+
git clone https://github.com/deepmodeling/jax-fem
285293
```
286294
</details>
287295
<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>
@@ -291,7 +299,7 @@ This curated list contains 33 awesome open-source projects with a total of 2.7K
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```
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git clone https://github.com/deepmodeling/dpti
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```
294-
- [PyPi](https://pypi.org/project/dpti) (📥 35 / month):
302+
- [PyPi](https://pypi.org/project/dpti) (📥 31 / month):
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```
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pip install dpti
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```
@@ -303,7 +311,7 @@ This curated list contains 33 awesome open-source projects with a total of 2.7K
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```
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git clone https://github.com/deepmodeling/fealpy
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```
306-
- [PyPi](https://pypi.org/project/fealpy) (📥 51 / month):
314+
- [PyPi](https://pypi.org/project/fealpy) (📥 49 / month):
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```
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pip install fealpy
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```
@@ -330,7 +338,7 @@ This curated list contains 33 awesome open-source projects with a total of 2.7K
330338
</details>
331339
<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>
332340

333-
- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 5 · 🔀 5 · ⏱️ 15.01.2024):
341+
- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 5 · 🔀 5 · ⏱️ 19.01.2024):
334342

335343
```
336344
git clone https://github.com/deepmodeling/blog
@@ -364,7 +372,7 @@ This curated list contains 33 awesome open-source projects with a total of 2.7K
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pip install fpop
365373
```
366374
</details>
367-
<details><summary><b><a href="https://github.com/deepmodeling/AI4Science101">AI4Science101</a></b> (🥉5 · ⭐ 75 · 💤) - AI for Science. <code>Unlicensed</code></summary>
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<details><summary><b><a href="https://github.com/deepmodeling/AI4Science101">AI4Science101</a></b> (🥉5 · ⭐ 77 · 💤) - AI for Science. <code>Unlicensed</code></summary>
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- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 12 · ⏱️ 04.09.2022):
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history/2024-01-25_changes.md

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## 📈 Trending Up
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_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._
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- <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>
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- <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>
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## 📉 Trending Down
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_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._
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- <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>
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- <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>
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- <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>
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- <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>
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## ➕ Added Projects
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_Projects that were recently added to this best-of list._
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- <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>
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