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This curated list contains 33 awesome open-source projects with a total of 2.5K 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 33 awesome open-source projects with a total of 2.6K 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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@@ -44,22 +44,22 @@ This curated list contains 33 awesome open-source projects with a total of 2.5K
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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> (🥇29 · ⭐ 1.2K) - 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>
@@ -68,14 +68,14 @@ This curated list contains 33 awesome open-source projects with a total of 2.5K
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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> (🥇24 · ⭐ 240 · 📈) - 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/dpgen">DP-GEN</a></b> (🥇24 · ⭐ 240) - 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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docker pull dptechnology/dpdata
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```
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</details>
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<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 · ⭐ 120) - 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> (🥈21 · ⭐ 33) - 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>
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<details><summary><b><ahref="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥇22 · ⭐ 34 · 📈) - 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> (🥈17 · ⭐ 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/DMFF">DMFF</a></b> (🥈13 · ⭐ 120 · 📈) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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<details><summary><b><ahref="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈13 · ⭐ 120) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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docker pull dptechnology/dpgen2
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```
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</details>
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<details><summary><b><ahref="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥉12 · ⭐ 21 · 🐣) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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pip install deepmodeling_sphinx
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```
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</details>
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<details><summary><b><ahref="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥉11 · ⭐ 21 · 🐣) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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