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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!
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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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- 🥇🥈🥉 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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<ahref="#contents"><imgalign="right"width="15"height="15"src="https://git.io/JtehR"alt="Back to top"></a>
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<details><summary><b><ahref="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><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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<details><summary><b><ahref="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><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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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><ahref="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><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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<details><summary><b><ahref="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇23 · ⭐ 170 · 📈) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><ahref="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇22 · ⭐ 160) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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<details><summary><b><ahref="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><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><ahref="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><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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<details><summary><b><ahref="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><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><ahref="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><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><ahref="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈16 · ⭐ 6) - A web-based GUI for user inputs. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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<details><summary><b><ahref="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈15 · ⭐ 7 · 📉) - A web-based GUI for user inputs. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><ahref="https://github.com/deepmodeling/dargs">dargs</a></b> (🥈16 · ⭐ 5) - Argument processing for the deep modeling project. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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<details><summary><b><ahref="https://github.com/deepmodeling/dargs">dargs</a></b> (🥈15 · ⭐ 5 · 📉) - Argument processing for the deep modeling project. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><ahref="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><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><ahref="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><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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<details><summary><b><ahref="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥉9 · ⭐ 59 · 🐣) - Differentiable Finite Element Method with JAX. <code><ahref="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
_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><ahref="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><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code>
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- <b><ahref="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇23 · ⭐ 170 · 📈) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. <code><ahref="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><ahref="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><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code>
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- <b><ahref="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈15 · ⭐ 7 · 📉) - A web-based GUI for user inputs. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code>
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- <b><ahref="https://github.com/deepmodeling/dargs">dargs</a></b> (🥈15 · ⭐ 5 · 📉) - Argument processing for the deep modeling project. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code>
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