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@@ -44,22 +44,22 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
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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> (🥇28 · ⭐ 1.5K) - 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> (🥇26 · ⭐ 1.5K · 📉) - 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/abacus-develop">ABACUS</a></b> (🥇26 · ⭐ 160) - 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> (🥇26 · ⭐ 170) - 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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docker pull dptechnology/dpdata
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</details>
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<details><summary><b><ahref="https://github.com/deepmodeling/dpgen">DP-GEN</a></b> (🥇23 · ⭐ 300) - 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> (🥇22 · ⭐ 300 · 📉) - 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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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/dpdispatcher">dpdispatcher</a></b> (🥈22 · ⭐ 42) - 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 · ⭐ 42) - 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>
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<details><summary><b><ahref="https://github.com/deepmodeling/dpgen2">DPGEN2</a></b> (🥈17 · ⭐ 33) - 2nd generation of the Deep Potential GENerator. <code><ahref="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
<details><summary><b><ahref="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈16 · ⭐ 47) - 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/DMFF">DMFF</a></b> (🥈14 · ⭐ 150 · 💤) - 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>
<details><summary><b><ahref="https://github.com/deepmodeling/deepks-kit">DeePKS-kit</a></b> (🥉10 · ⭐ 99) - 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/deepks-kit">DeePKS-kit</a></b> (🥉10 · ⭐ 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>
_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/deepmd-kit">DeePMD-kit</a></b> (🥇26 · ⭐ 1.5K · 📉) - 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/dpgen">DP-GEN</a></b> (🥇22 · ⭐ 300 · 📉) - 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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