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Update best-of list for version 2024.05.09
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README.md

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@@ -44,38 +44,38 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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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> (🥇29 · ⭐ 1.4K) - 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>
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<details><summary><b><a href="https://github.com/deepmodeling/deepmd-kit">DeePMD-kit</a></b> (🥇28 · ⭐ 1.4K · 📉) - 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>
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- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 68 · 🔀 460 · 📥 35K · 📦 13 · 📋 660 - 14% open · ⏱️ 06.04.2024):
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- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 68 · 🔀 470 · 📥 36K · 📦 14 · 📋 670 - 14% open · ⏱️ 06.04.2024):
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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) (📥 2K / month):
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- [PyPi](https://pypi.org/project/deepmd-kit) (📥 1.7K / 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) (📥 530K · ⏱️ 07.04.2024):
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- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 540K · ⏱️ 07.04.2024):
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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) (📥 3 / month):
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- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 10 / month):
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```
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npm install deepmd-kit
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```
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- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 2.2K · ⭐ 1 · ⏱️ 04.03.2024):
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- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 2.3K · ⭐ 1 · ⏱️ 04.03.2024):
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```
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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> (🥇24 · ⭐ 280) - 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/dpgen) (👨‍💻 64 · 🔀 170 · 📥 1.7K · 📦 5 · 📋 280 - 9% open · ⏱️ 10.04.2024):
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- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 64 · 🔀 170 · 📥 1.7K · 📦 5 · 📋 280 - 10% open · ⏱️ 10.04.2024):
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```
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git clone https://github.com/deepmodeling/dpgen
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```
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- [PyPi](https://pypi.org/project/dpgen) (📥 730 / month):
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- [PyPi](https://pypi.org/project/dpgen) (📥 680 / month):
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```
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pip install dpgen
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```
@@ -86,12 +86,12 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇24 · ⭐ 180) - 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/dpdata) (👨‍💻 57 · 🔀 120 · 📦 120 · 📋 88 - 15% open · ⏱️ 03.04.2024):
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- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 57 · 🔀 120 · 📦 120 · 📋 89 - 16% open · ⏱️ 03.04.2024):
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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) (📥 15K / month):
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- [PyPi](https://pypi.org/project/dpdata) (📥 17K / month):
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```
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pip install dpdata
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```
@@ -106,19 +106,19 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇23 · ⭐ 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) (👨‍💻 110 · 🔀 110 · 📋 1.4K - 14% open · ⏱️ 30.04.2024):
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- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 110 · 🔀 120 · 📋 1.4K - 14% open · ⏱️ 08.05.2024):
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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) (📥 31K · ⏱️ 28.04.2024):
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- [Conda](https://anaconda.org/conda-forge/abacus) (📥 34K · ⏱️ 28.04.2024):
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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 · ⭐ 38) - 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) (👨‍💻 44 · 🔀 50 · 📦 47 · 📋 69 - 23% open · ⏱️ 01.05.2024):
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- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 44 · 🔀 51 · 📦 47 · 📋 69 - 23% open · ⏱️ 04.05.2024):
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```
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git clone https://github.com/deepmodeling/dpdispatcher
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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) (📥 7.6K · ⏱️ 21.01.2024):
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- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 7.8K · ⏱️ 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) (📥 94K · ⏱️ 21.01.2024):
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 95K · ⏱️ 21.01.2024):
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```
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docker pull dptechnology/dpdispatcher
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈20 · ⭐ 58) - an automatic reaction network generator for reactive molecular dynamics simulation. <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/reacnetgenerator">reacnetgenerator</a></b> (🥈21 · ⭐ 59 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 18 · 🔀 33 · 📋 120 - 4% open · ⏱️ 02.05.2024):
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- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 18 · 🔀 33 · 📋 120 - 3% open · ⏱️ 08.05.2024):
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```
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git clone https://github.com/deepmodeling/reacnetgenerator
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```
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- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2K / month):
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- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2.2K / month):
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```
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pip install reacnetgenerator
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```
@@ -152,7 +152,7 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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conda install -c conda-forge reacnetgenerator
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈18 · ⭐ 53) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. <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/dflow">dflow</a></b> (🥈18 · ⭐ 54) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 22 · 🔀 23 · 📋 34 - 38% open · ⏱️ 30.04.2024):
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@@ -172,26 +172,26 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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docker pull dptechnology/dflow
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈17 · ⭐ 32) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. <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/DeePTB">DeePTB</a></b> (🥈17 · ⭐ 31) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 9 · 🔀 12 · 📋 30 - 30% open · ⏱️ 01.05.2024):
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- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 9 · 🔀 12 · 📋 31 - 25% open · ⏱️ 08.05.2024):
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```
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git clone https://github.com/deepmodeling/DeePTB
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```
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- [PyPi](https://pypi.org/project/dptb) (📥 400 / month):
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- [PyPi](https://pypi.org/project/dptb) (📥 530 / month):
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```
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pip install dptb
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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> (🥈17 · ⭐ 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) (👨‍💻 7 · 🔀 2 · 📦 110 · 📋 7 - 14% open · ⏱️ 27.04.2024):
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- [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 7 · 🔀 2 · 📦 120 · 📋 7 - 14% open · ⏱️ 27.04.2024):
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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) (📥 23K / month):
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- [PyPi](https://pypi.org/project/dargs) (📥 27K / month):
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```
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pip install dargs
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```
@@ -208,54 +208,66 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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git clone https://github.com/deepmodeling/deepflame-dev
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈15 · ⭐ 16 · 📈) - APEX: Alloy Properties EXplorer using simulations. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 6 · 🔀 14 · ⏱️ 06.05.2024):
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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) (📥 190 / month):
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```
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pip install apex-flow
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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> (🥈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 · 📦 6 · ⏱️ 12.04.2024):
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- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 3 · 🔀 4 · 📦 6 · ⏱️ 04.05.2024):
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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) (📥 13K / month):
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- [PyPi](https://pypi.org/project/dpgui) (📥 16K / month):
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```
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pip install dpgui
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<details><summary><b><a href="https://github.com/deepmodeling/dpgen2">DPGEN2</a></b> (🥈14 · ⭐ 28) - 2nd generation of the Deep Potential GENerator. <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/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 150 · 📈) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 13 · 🔀 19 · 📦 2 · 📋 28 - 39% open · ⏱️ 30.04.2024):
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- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 7 · 🔀 29 · 📋 22 - 77% open · ⏱️ 08.05.2024):
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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) (📥 130 / month):
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```
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pip install dpgen2
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git clone https://github.com/deepmodeling/jax-fem
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```
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 2.4K · ⏱️ 30.04.2024):
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- [PyPi](https://pypi.org/project/jax-fem) (📥 200 / month):
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```
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docker pull dptechnology/dpgen2
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pip install jax-fem
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈13 · ⭐ 150) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
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<details><summary><b><a href="https://github.com/deepmodeling/dpgen2">DPGEN2</a></b> (🥈14 · ⭐ 28) - 2nd generation of the Deep Potential GENerator. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 7 · 🔀 28 · 📋 22 - 77% open · ⏱️ 01.05.2024):
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- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 13 · 🔀 20 · 📦 2 · 📋 29 - 41% open · ⏱️ 07.05.2024):
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```
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git clone https://github.com/deepmodeling/jax-fem
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git clone https://github.com/deepmodeling/dpgen2
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```
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- [PyPi](https://pypi.org/project/jax-fem) (📥 190 / month):
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- [PyPi](https://pypi.org/project/dpgen2) (📥 130 / month):
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```
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pip install jax-fem
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pip install dpgen2
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```
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 2.4K · ⏱️ 07.05.2024):
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```
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docker pull dptechnology/dpgen2
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈13 · ⭐ 140 · 📉) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. <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/DMFF">DMFF</a></b> (🥈13 · ⭐ 140) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 14 · 🔀 40 · 📋 25 - 36% open · ⏱️ 12.01.2024):
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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) (📥 250 · ⏱️ 06.01.2024):
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- [Conda](https://anaconda.org/conda-forge/dmff) (📥 270 · ⏱️ 06.01.2024):
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```
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conda install -c conda-forge dmff
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```
@@ -267,7 +279,7 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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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) (📥 97 / month):
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- [PyPi](https://pypi.org/project/rid-kit) (📥 140 / month):
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```
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```
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git clone https://github.com/deepmodeling/args
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```
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- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 310 / month):
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- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 410 / month):
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```
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```
@@ -291,44 +303,32 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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```
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```
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- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.3K / month):
306+
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.4K / month):
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```
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pip install deepmodeling_sphinx
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥉11 · ⭐ 13) - APEX: Alloy Properties EXplorer using simulations. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 6 · 🔀 14 · ⏱️ 07.04.2024):
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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) (📥 90 / month):
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```
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pip install apex-flow
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/fealpy">fealpy</a></b> (🥉11 · ⭐ 2) - Finite Element Analysis Library in Python. <code>Unlicensed</code></summary>
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- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 57 · 🔀 2 · ⏱️ 24.04.2024):
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```
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git clone https://github.com/deepmodeling/fealpy
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```
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- [PyPi](https://pypi.org/project/fealpy) (📥 170 / month):
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- [PyPi](https://pypi.org/project/fealpy) (📥 180 / month):
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```
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pip install fealpy
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/deepks-kit">DeePKS-kit</a></b> (🥉10 · ⭐ 97) - 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>
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- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 32 · 📋 16 - 18% open · ⏱️ 13.04.2024):
325+
- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 32 · 📋 17 - 23% open · ⏱️ 13.04.2024):
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```
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git clone https://github.com/deepmodeling/deepks-kit
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```
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</details>
331-
<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉10 · ⭐ 18) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
331+
<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉10 · ⭐ 19) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 16 · 🔀 20 · ⏱️ 13.04.2024):
334334

@@ -352,14 +352,22 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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docker pull dptechnology/unifold
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```
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</details>
355+
<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>
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- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 7 · 🔀 7 · ⏱️ 04.05.2024):
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```
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git clone https://github.com/deepmodeling/blog
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/fpop">fpop</a></b> (🥉8 · ⭐ 1) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 3 · 🔀 7 · 📦 5 · ⏱️ 28.02.2024):
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```
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git clone https://github.com/deepmodeling/fpop
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```
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- [PyPi](https://pypi.org/project/fpop) (📥 1.4K / month):
370+
- [PyPi](https://pypi.org/project/fpop) (📥 1.5K / month):
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```
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pip install fpop
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```
@@ -388,14 +396,6 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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git clone https://github.com/deepmodeling/docs
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/blog">Blog</a></b> (🥉7 · ⭐ 1) - DeepModeling Blog. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 7 · 🔀 7 · ⏱️ 18.04.2024):
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```
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git clone https://github.com/deepmodeling/blog
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/AI4Science101">AI4Science101</a></b> (🥉6 · ⭐ 82 · 💤) - AI for Science. <code>Unlicensed</code></summary>
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- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 13 · ⏱️ 04.09.2022):

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