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Update best-of list for version 2024.10.31
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‎README.md‎

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@@ -46,7 +46,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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<details><summary><b><a href="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><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 69 · 🔀 490 · 📥 42K · 📦 19 · 📋 800 - 9% open · ⏱️ 17.09.2024):
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- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 69 · 🔀 490 · 📥 42K · 📦 20 · 📋 800 - 9% open · ⏱️ 17.09.2024):
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```
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git clone https://github.com/deepmodeling/deepmd-kit
@@ -55,11 +55,11 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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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) (📥 1.1M · ⏱️ 25.09.2024):
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- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 1.2M · ⏱️ 25.09.2024):
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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) (📥 10 / month):
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- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 4 / month):
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```
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npm install deepmd-kit
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```
@@ -70,24 +70,24 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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</details>
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<details><summary><b><a href="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><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 130 · 📋 1.9K - 7% open · ⏱️ 24.10.2024):
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- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 130 · 📋 2K - 7% open · ⏱️ 31.10.2024):
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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) (📥 210K · ⏱️ 30.09.2024):
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- [Conda](https://anaconda.org/conda-forge/abacus) (📥 220K · ⏱️ 30.09.2024):
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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/dpdata">dpdata</a></b> (🥇24 · ⭐ 200) - A Python package for manipulating atomistic data of software in computational science. <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/dpdata">dpdata</a></b> (🥇25 · ⭐ 200 · 📈) - A Python package for manipulating atomistic data of software in computational science. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 61 · 🔀 120 · 📦 130 · 📋 100 - 20% open · ⏱️ 20.09.2024):
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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) (📥 53K / month):
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- [PyPi](https://pypi.org/project/dpdata) (📥 58K / month):
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```
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pip install dpdata
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```
@@ -100,14 +100,14 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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docker pull dptechnology/dpdata
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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> (🥇23 · ⭐ 42) - 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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<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥇24 · ⭐ 44 · 📈) - 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) (👨‍💻 47 · 🔀 54 · 📦 52 · 📋 79 - 20% open · ⏱️ 06.10.2024):
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- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 47 · 🔀 54 · 📦 52 · 📋 79 - 20% open · ⏱️ 28.10.2024):
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```
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git clone https://github.com/deepmodeling/dpdispatcher
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```
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- [PyPi](https://pypi.org/project/dpdispatcher) (📥 7.6K / month):
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- [PyPi](https://pypi.org/project/dpdispatcher) (📥 7.1K / month):
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```
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pip install dpdispatcher
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```
@@ -127,7 +127,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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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) (📥 1.7K / month):
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- [PyPi](https://pypi.org/project/dpgen) (📥 1.6K / month):
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```
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pip install dpgen
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```
@@ -143,18 +143,18 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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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) (📥 8.7K / month):
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- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 8.2K / month):
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```
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pip install reacnetgenerator
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```
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- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 430K · ⏱️ 04.10.2024):
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- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 440K · ⏱️ 04.10.2024):
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```
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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> (🥈19 · ⭐ 63) - 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 · 🔀 25 · 📋 35 - 40% open · ⏱️ 23.10.2024):
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- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 22 · 🔀 26 · 📋 35 - 40% open · ⏱️ 31.10.2024):
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```
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git clone https://github.com/deepmodeling/dflow
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```
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conda install -c conda-forge dflow
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```
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 9.3K · ⏱️ 23.10.2024):
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 9.3K · ⏱️ 31.10.2024):
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```
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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/dargs">dargs</a></b> (🥈18 · ⭐ 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 · 🔀 3 · 📦 130 · 📋 8 - 25% open · ⏱️ 17.07.2024):
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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) (📥 57K / month):
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```
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pip install dargs
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```
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- [Conda](https://anaconda.org/conda-forge/dargs) (📥 33K · ⏱️ 15.07.2024):
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```
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conda install -c conda-forge dargs
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/deepflame-dev">DeepFlame</a></b> (🥈17 · ⭐ 140) - A deep learning empowered open-source platform for reacting flow simulations. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 24 · 🔀 60 · 📋 47 - 38% open · ⏱️ 12.10.2024):
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- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 24 · 🔀 61 · 📋 48 - 39% open · ⏱️ 12.10.2024):
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```
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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/dpgen2">DPGEN2</a></b> (🥈17 · ⭐ 33) - 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/dpgen2) (👨‍💻 14 · 🔀 24 · 📦 5 · 📋 32 - 28% open · ⏱️ 23.10.2024):
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- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 25 · 📦 5 · 📋 32 - 28% open · ⏱️ 29.10.2024):
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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) (📥 720 / month):
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- [PyPi](https://pypi.org/project/dpgen2) (📥 690 / month):
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```
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pip install dpgen2
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```
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.6K · ⏱️ 23.10.2024):
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.6K · ⏱️ 29.10.2024):
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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/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 · 🔀 3 · 📦 130 · 📋 8 - 25% open · ⏱️ 28.10.2024):
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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) (📥 55K / month):
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```
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pip install dargs
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```
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- [Conda](https://anaconda.org/conda-forge/dargs) (📥 33K · ⏱️ 15.07.2024):
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```
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conda install -c conda-forge dargs
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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> (🥈16 · ⭐ 52) - 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) (👨‍💻 10 · 🔀 15 · 📦 2 · 📋 36 - 22% open · ⏱️ 03.10.2024):
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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) (📥 610 / month):
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- [PyPi](https://pypi.org/project/dptb) (📥 580 / month):
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```
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pip install dptb
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈16 · ⭐ 23) - 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 · 🔀 16 · 📦 2 · ⏱️ 11.10.2024):
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- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 6 · 🔀 16 · 📦 2 · ⏱️ 25.10.2024):
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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) (📥 5.6K / month):
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- [PyPi](https://pypi.org/project/apex-flow) (📥 6.6K / 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/jax-fem">JAX-FEM</a></b> (🥈15 · ⭐ 270) - 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/jax-fem">JAX-FEM</a></b> (🥈15 · ⭐ 280) - 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/jax-fem) (👨‍💻 8 · 🔀 42 · 📦 3 · 📋 34 - 61% open · ⏱️ 09.10.2024):
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- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 8 · 🔀 42 · 📦 3 · 📋 35 - 62% open · ⏱️ 30.10.2024):
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```
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git clone https://github.com/deepmodeling/jax-fem
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```
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- [PyPi](https://pypi.org/project/jax-fem) (📥 670 / month):
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- [PyPi](https://pypi.org/project/jax-fem) (📥 710 / month):
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```
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pip install jax-fem
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```
@@ -267,7 +267,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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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) (📥 860 / month):
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- [PyPi](https://pypi.org/project/rid-kit) (📥 880 / month):
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```
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pip install rid-kit
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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) (📥 26K / month):
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- [PyPi](https://pypi.org/project/dpgui) (📥 31K / month):
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```
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pip install dpgui
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/deepmodeling_sphinx">deepmodeling_sphinx</a></b> (🥉13 · ⭐ 3) - Sphinx extension for DeepModeling projects. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 7 · ⏱️ 11.09.2024):
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- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 7 · ⏱️ 27.10.2024):
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```
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git clone https://github.com/deepmodeling/deepmodeling_sphinx
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```
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- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 3.9K / month):
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- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 4.2K / 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/dpti">dpti</a></b> (🥉11 · ⭐ 21) - 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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<details><summary><b><a href="https://github.com/deepmodeling/dpti">dpti</a></b> (🥉11 · ⭐ 22) - 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) (👨‍💻 19 · 🔀 19 · 📦 2 · ⏱️ 14.08.2024):
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```
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git clone https://github.com/deepmodeling/dpti
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```
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- [PyPi](https://pypi.org/project/dpti) (📥 320 / month):
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- [PyPi](https://pypi.org/project/dpti) (📥 290 / month):
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```
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pip install dpti
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉11 · ⭐ 3 · 🐣) - Graphics Processing Units Molecular Dynamics. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 35 · ⏱️ 21.10.2024):
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- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 35 · ⏱️ 30.10.2024):
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```
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git clone https://github.com/deepmodeling/GPUMD
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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 · ⭐ 100) - 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 · 🔀 35 · 📋 20 - 30% open · ⏱️ 13.04.2024):
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- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 36 · 📋 20 - 30% 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>
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<details><summary><b><a href="https://github.com/deepmodeling/fpop">fpop</a></b> (🥉9 · ⭐ 2) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 11 · 📦 10 · ⏱️ 01.07.2024):
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- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 12 · 📦 10 · ⏱️ 01.07.2024):
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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) (📥 2.2K / month):
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- [PyPi](https://pypi.org/project/fpop) (📥 2.4K / month):
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```
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pip install fpop
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```
@@ -363,7 +363,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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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) (📥 42 / month):
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- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 44 / month):
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```
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npm install @deepmodeling/args
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```
@@ -375,7 +375,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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```
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git clone https://github.com/deepmodeling/Uni-Fold
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```
378-
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 760 · ⏱️ 08.01.2024):
378+
- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 770 · ⏱️ 08.01.2024):
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```
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docker pull dptechnology/unifold
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```
@@ -404,36 +404,36 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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git clone https://github.com/deepmodeling/AIS-Square
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```
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</details>
407-
<details><summary><b><a href="https://github.com/deepmodeling/tbplas">tbplas</a></b> (🥉6 · ⭐ 7 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). <code>Unlicensed</code></summary>
407+
<details><summary><b><a href="https://github.com/deepmodeling/tbplas">tbplas</a></b> (🥉6 · ⭐ 8 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). <code>Unlicensed</code></summary>
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- [GitHub](https://github.com/deepmodeling/tbplas) (👨‍💻 10 · 🔀 4 · ⏱️ 17.01.2024):
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```
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git clone https://github.com/deepmodeling/tbplas
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/docs">docs</a></b> (🥉6 · ⭐ 3) - The home page of DeepModeling documentation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
415+
<details><summary><b><a href="https://github.com/deepmodeling/DeePDih">DeePDih</a></b> (🥉6 · ⭐ 4 · 📈) - Deep Potential driven molecular dihedral scan toolkit. <code><a href="http://bit.ly/34MBwT8">MIT</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/docs) (👨‍💻 8 · 🔀 7 · ⏱️ 11.04.2024):
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- [GitHub](https://github.com/deepmodeling/DeePDih) (🔀 3 · ⏱️ 19.04.2024):
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```
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git clone https://github.com/deepmodeling/docs
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git clone https://github.com/deepmodeling/DeePDih
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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> (🥉5 · ⭐ 84 · 💤) - AI for Science. <code>Unlicensed</code></summary>
423+
<details><summary><b><a href="https://github.com/deepmodeling/docs">docs</a></b> (🥉6 · ⭐ 3) - The home page of DeepModeling documentation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 13 · ⏱️ 04.09.2022):
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- [GitHub](https://github.com/deepmodeling/docs) (👨‍💻 8 · 🔀 7 · ⏱️ 28.10.2024):
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```
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git clone https://github.com/deepmodeling/AI4Science101
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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/DeePDih">DeePDih</a></b> (🥉5 · ⭐ 4) - Deep Potential driven molecular dihedral scan toolkit. <code><a href="http://bit.ly/34MBwT8">MIT</a></code></summary>
431+
<details><summary><b><a href="https://github.com/deepmodeling/AI4Science101">AI4Science101</a></b> (🥉5 · ⭐ 84 · 💤) - AI for Science. <code>Unlicensed</code></summary>
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- [GitHub](https://github.com/deepmodeling/DeePDih) (🔀 2 · ⏱️ 19.04.2024):
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- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 13 · ⏱️ 04.09.2022):
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```
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git clone https://github.com/deepmodeling/DeePDih
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git clone https://github.com/deepmodeling/AI4Science101
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/DeepH-pack">DeepH-pack</a></b> (🥉4 · ⭐ 11 · 💤) - Deep neural networks for density functional theory Hamiltonian. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>

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