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Merge pull request #88 from deepmodeling/update/2025.03.27
Best-of update: 2025.03.27
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Diff for: README.md

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@@ -46,56 +46,40 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
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<details><summary><b><a href="https://github.com/deepmodeling/deepmd-kit">DeePMD-kit</a></b> (🥇28 · ⭐ 1.6K) - 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) (👨‍💻 75 · 🔀 510 · 📥 49K · 📦 26 · 📋 880 - 9% open · ⏱️ 02.03.2025):
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- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 75 · 🔀 520 · 📥 50K · 📦 26 · 📋 880 - 9% open · ⏱️ 02.03.2025):
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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) (📥 3.8K / month):
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- [PyPi](https://pypi.org/project/deepmd-kit) (📥 4.6K / 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) (📥 1.7M · ⏱️ 14.03.2025):
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- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 1.7M · ⏱️ 25.03.2025):
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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) (📥 1 / month):
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- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 9 / 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) (📥 3.3K · ⭐ 1 · ⏱️ 05.03.2025):
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- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 3.4K · ⭐ 1 · ⏱️ 05.03.2025):
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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 · ⭐ 330) - 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) (👨‍💻 69 · 🔀 170 · 📥 1.9K · 📦 8 · 📋 320 - 13% open · ⏱️ 21.02.2025):
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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) (📥 930 / month):
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```
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pip install dpgen
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```
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- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 38K · ⏱️ 21.02.2025):
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```
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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><a href="https://github.com/deepmodeling/dpdata">dpdata</a></b> (🥇24 · ⭐ 210) - 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) (👨‍💻 63 · 🔀 130 · 📦 140 · 📋 110 - 18% open · ⏱️ 20.03.2025):
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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) (📥 21K / month):
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- [PyPi](https://pypi.org/project/dpdata) (📥 20K / month):
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```
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pip install dpdata
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```
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- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 93K · ⏱️ 20.03.2025):
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- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 93K · ⏱️ 25.03.2025):
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```
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conda install -c conda-forge dpdata
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```
@@ -106,52 +90,68 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇24 · ⭐ 190) - 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 · 🔀 140 · 📋 2.2K - 4% open · ⏱️ 19.03.2025):
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- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.2K - 4% open · ⏱️ 27.03.2025):
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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) (📥 360K · ⏱️ 19.03.2025):
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- [Conda](https://anaconda.org/conda-forge/abacus) (📥 370K · ⏱️ 25.03.2025):
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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 · ⭐ 49) - 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/dpgen">DP-GEN</a></b> (🥇23 · ⭐ 330 · 📉) - 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/dpdispatcher) (👨‍💻 46 · 🔀 53 · 📦 56 · 📋 81 - 22% open · ⏱️ 28.01.2025):
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- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 69 · 🔀 170 · 📥 1.9K · 📦 8 · 📋 320 - 14% open · ⏱️ 21.02.2025):
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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) (📥 2K / month):
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```
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pip install dpdispatcher
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git clone https://github.com/deepmodeling/dpgen
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```
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- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 24K · ⏱️ 31.01.2025):
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- [PyPi](https://pypi.org/project/dpgen) (📥 920 / month):
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```
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conda install -c conda-forge dpdispatcher
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pip install dpgen
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```
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 120K · ⏱️ 30.01.2025):
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- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 38K · ⏱️ 25.03.2025):
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```
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docker pull dptechnology/dpdispatcher
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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><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈21 · ⭐ 83) - 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 · ⭐ 84) - 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 · 🔀 40 · 📦 3 · 📋 130 - 5% open · ⏱️ 20.02.2025):
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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) (📥 4.3K / month):
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- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 4.2K / 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) (📥 560K · ⏱️ 06.01.2025):
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- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 560K · ⏱️ 25.03.2025):
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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/dpdispatcher">dpdispatcher</a></b> (🥈21 · ⭐ 49 · 📉) - 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>
136+
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- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 53 · 📦 56 · 📋 81 - 22% open · ⏱️ 28.01.2025):
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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) (📥 2.4K / month):
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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) (📥 24K · ⏱️ 25.03.2025):
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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) (📥 120K · ⏱️ 30.01.2025):
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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/dflow">dflow</a></b> (🥈18 · ⭐ 68) - 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 · 🔀 28 · 📋 36 - 38% open · ⏱️ 18.03.2025):
@@ -187,23 +187,23 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
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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) (📥 39K / month):
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- [PyPi](https://pypi.org/project/dargs) (📥 35K / 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) (📥 41K · ⏱️ 22.12.2024):
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- [Conda](https://anaconda.org/conda-forge/dargs) (📥 42K · ⏱️ 25.03.2025):
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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/dpgen2">DPGEN2</a></b> (🥈16 · ⭐ 36 · 📈) - 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/dpgen2">DPGEN2</a></b> (🥈16 · ⭐ 37) - 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 · 🔀 28 · 📦 6 · 📋 34 - 32% open · ⏱️ 18.03.2025):
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- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 28 · 📦 6 · 📋 35 - 34% open · ⏱️ 18.03.2025):
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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) (📥 220 / month):
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- [PyPi](https://pypi.org/project/dpgen2) (📥 240 / month):
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```
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pip install dpgen2
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```
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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> (🥈15 · ⭐ 67 · 📈) - 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> (🥈15 · ⭐ 68) - 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) (👨‍💻 11 · 🔀 17 · 📦 2 · 📋 44 - 31% open · ⏱️ 20.03.2025):
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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) (📥 280 / month):
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- [PyPi](https://pypi.org/project/dptb) (📥 300 / 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/APEX">APEX</a></b> (🥈15 · ⭐ 28) - APEX: Alloy Properties EXplorer using simulations. <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/APEX">APEX</a></b> (🥈15 · ⭐ 29) - 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) (👨‍💻 7 · 🔀 20 · 📦 4 · 📋 9 - 11% open · ⏱️ 11.03.2025):
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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) (📥 840 / month):
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- [PyPi](https://pypi.org/project/apex-flow) (📥 880 / month):
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```
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pip install apex-flow
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```
@@ -243,33 +243,33 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
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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) (📥 18K / month):
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- [PyPi](https://pypi.org/project/dpgui) (📥 17K / 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/jax-fem">JAX-FEM</a></b> (🥈13 · ⭐ 360) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
251+
<details><summary><b><a href="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈14 · ⭐ 170 · 💤) - 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/jax-fem) (👨‍💻 10 · 🔀 53 · 📦 3 · 📋 48 - 60% open · ⏱️ 18.03.2025):
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- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 14 · 🔀 46 · 📋 28 - 42% open · ⏱️ 12.01.2024):
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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/DMFF
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```
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- [PyPi](https://pypi.org/project/jax-fem) (📥 300 / month):
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- [Conda](https://anaconda.org/conda-forge/dmff) (📥 1.8K · ⏱️ 25.03.2025):
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```
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pip install jax-fem
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conda install -c conda-forge dmff
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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 · ⭐ 170 · 💤) - 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>
263+
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈13 · ⭐ 360) - 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/DMFF) (👨‍💻 14 · 🔀 46 · 📋 28 - 42% open · ⏱️ 12.01.2024):
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- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 55 · 📦 3 · 📋 48 - 58% open · ⏱️ 18.03.2025):
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```
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git clone https://github.com/deepmodeling/DMFF
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git clone https://github.com/deepmodeling/jax-fem
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```
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- [Conda](https://anaconda.org/conda-forge/dmff) (📥 1.8K · ⏱️ 06.01.2024):
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- [PyPi](https://pypi.org/project/jax-fem) (📥 300 / month):
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```
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conda install -c conda-forge dmff
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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/rid-kit">rid-kit</a></b> (🥈13 · ⭐ 47) - Reinforced dynamics. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
@@ -279,29 +279,29 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
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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) (📥 460 / month):
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- [PyPi](https://pypi.org/project/rid-kit) (📥 410 / month):
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```
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pip install rid-kit
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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>
287+
<details><summary><b><a href="https://github.com/deepmodeling/GPUMD">GPUMD</a></b> (🥉12 · ⭐ 5) - 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/deepmodeling_sphinx) (👨‍💻 7 · 🔀 7 · ⏱️ 27.10.2024):
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- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 44 · ⏱️ 14.02.2025):
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```
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git clone https://github.com/deepmodeling/deepmodeling_sphinx
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```
294-
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.5K / month):
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```
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pip install deepmodeling_sphinx
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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/GPUMD">GPUMD</a></b> (🥉12 · ⭐ 5) - Graphics Processing Units Molecular Dynamics. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
295+
<details><summary><b><a href="https://github.com/deepmodeling/deepmodeling_sphinx">deepmodeling_sphinx</a></b> (🥉12 · ⭐ 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/GPUMD) (👨‍💻 44 · ⏱️ 14.02.2025):
297+
- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 7 · ⏱️ 22.03.2025):
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```
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git clone https://github.com/deepmodeling/GPUMD
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git clone https://github.com/deepmodeling/deepmodeling_sphinx
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```
302+
- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.8K / 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/args">args</a></b> (🥉11 · ⭐ 2) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
@@ -316,7 +316,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
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npm install @deepmodeling/args
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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> (🥉9 · ⭐ 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>
319+
<details><summary><b><a href="https://github.com/deepmodeling/deepks-kit">DeePKS-kit</a></b> (🥉9 · ⭐ 110 · 💤) - 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 · 🔀 36 · 📋 27 - 37% open · ⏱️ 13.04.2024):
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@@ -331,7 +331,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
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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) (📥 100 / month):
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- [PyPi](https://pypi.org/project/dpti) (📥 120 / month):
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```
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pip install dpti
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```
@@ -343,7 +343,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
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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) (📥 560 / month):
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- [PyPi](https://pypi.org/project/fpop) (📥 640 / month):
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```
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pip install fpop
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```
@@ -363,12 +363,12 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
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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) (📥 610 / month):
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- [PyPi](https://pypi.org/project/fealpy) (📥 710 / 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/blog">Blog</a></b> (🥉8 · ⭐ 1 · 📉) - DeepModeling Blog. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
371+
<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) (👨‍💻 9 · 🔀 8 · ⏱️ 13.03.2025):
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