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This curated list contains 38 awesome open-source projects with a total of 3.7K 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 38 awesome open-source projects with a total of 3.8K 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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@@ -46,20 +46,20 @@ This curated list contains 38 awesome open-source projects with a total of 3.7K
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<details><summary><b><ahref="https://github.com/deepmodeling/deepmd-kit">DeePMD-kit</a></b> (🥇29 · ⭐ 1.6K) - 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>
@@ -70,7 +70,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.7K
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</details>
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<details><summary><b><ahref="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇26 · ⭐ 180) - 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>
@@ -96,18 +96,18 @@ This curated list contains 38 awesome open-source projects with a total of 3.7K
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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><ahref="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇23 · ⭐ 200) - A Python package for manipulating atomistic data of software in computational science. <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> (🥇24 · ⭐ 200 · 📈) - A Python package for manipulating atomistic data of software in computational science. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
@@ -116,18 +116,18 @@ This curated list contains 38 awesome open-source projects with a total of 3.7K
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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/dpdispatcher">dpdispatcher</a></b> (🥈22 · ⭐ 47) - 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 · ⭐ 48) - 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/dpgen2">DPGEN2</a></b> (🥈16 · ⭐ 33) - 2nd generation of the Deep Potential GENerator. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
@@ -224,38 +224,38 @@ This curated list contains 38 awesome open-source projects with a total of 3.7K
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pip install apex-flow
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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> (🥈15 · ⭐ 59) - 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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<details><summary><b><ahref="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈16 · ⭐ 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/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>
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<details><summary><b><ahref="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈15 · ⭐ 59) - 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>
<details><summary><b><ahref="https://github.com/deepmodeling/deepks-kit">DeePKS-kit</a></b> (🥉9 · ⭐ 100 · 💤) - 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>
@@ -338,15 +338,15 @@ This curated list contains 38 awesome open-source projects with a total of 3.7K
_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/dpdata">dpdata</a></b> (🥇24 · ⭐ 200 · 📈) - A Python package for manipulating atomistic data of software in computational science. <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> (🥈16 · ⭐ 7 · 📈) - A web-based GUI for user inputs. <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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