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Merge pull request #81 from deepmodeling/update/2025.02.06
Best-of update: 2025.02.06
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README.md

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@@ -51,11 +51,11 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 6.1K / month):
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- [PyPi](https://pypi.org/project/deepmd-kit) (📥 5.9K / 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) (📥 1.5M · ⏱️ 24.12.2024):
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- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 1.6M · ⏱️ 24.12.2024):
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```
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conda install -c conda-forge deepmd-kit
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```
@@ -70,44 +70,28 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇26 · ⭐ 180) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. <code><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 · 📋 2.1K - 5% open · ⏱️ 30.01.2025):
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- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 140 · 📋 2.1K - 5% open · ⏱️ 01.02.2025):
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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) (📥 300K · ⏱️ 27.12.2024):
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- [Conda](https://anaconda.org/conda-forge/abacus) (📥 330K · ⏱️ 27.12.2024):
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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/dpgen">DP-GEN</a></b> (🥇24 · ⭐ 320) - 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 · 📋 310 - 13% open · ⏱️ 23.11.2024):
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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) (📥 820 / 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) (📥 36K · ⏱️ 24.11.2024):
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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 · ⭐ 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) (👨‍💻 62 · 🔀 130 · 📦 140 · 📋 110 - 19% open · ⏱️ 21.01.2025):
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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) (📥 15K / month):
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- [PyPi](https://pypi.org/project/dpdata) (📥 14K / 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) (📥 88K · ⏱️ 22.01.2025):
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- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 89K · ⏱️ 22.01.2025):
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```
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conda install -c conda-forge dpdata
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```
@@ -116,18 +100,34 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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/dpgen">DP-GEN</a></b> (🥇23 · ⭐ 320 · 📉) - 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>
104+
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- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 69 · 🔀 170 · 📥 1.9K · 📦 8 · 📋 310 - 13% open · ⏱️ 23.11.2024):
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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) (📥 740 / 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) (📥 37K · ⏱️ 24.11.2024):
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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/dpdispatcher">dpdispatcher</a></b> (🥈22 · ⭐ 48) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 53 · 📦 55 · 📋 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) (📥 3.3K / month):
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- [PyPi](https://pypi.org/project/dpdispatcher) (📥 3.2K / 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) (📥 20K · ⏱️ 30.12.2024):
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- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 22K · ⏱️ 31.01.2025):
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```
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conda install -c conda-forge dpdispatcher
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```
@@ -143,11 +143,11 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 10K / month):
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- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 11K / 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) (📥 510K · ⏱️ 06.01.2025):
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- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 530K · ⏱️ 06.01.2025):
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```
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conda install -c conda-forge reacnetgenerator
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```
@@ -159,16 +159,16 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 25K / month):
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- [PyPi](https://pypi.org/project/dargs) (📥 22K / 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) (📥 38K · ⏱️ 22.12.2024):
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- [Conda](https://anaconda.org/conda-forge/dargs) (📥 39K · ⏱️ 22.12.2024):
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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/dflow">dflow</a></b> (🥈18 · ⭐ 67) - 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>
171+
<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈18 · ⭐ 65) - 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 · 🔀 26 · 📋 36 - 38% open · ⏱️ 15.01.2025):
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@@ -190,7 +190,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/deepflame-dev">DeepFlame</a></b> (🥈16 · ⭐ 150) - 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) (👨‍💻 27 · 🔀 64 · 📋 49 - 40% open · ⏱️ 18.01.2025):
193+
- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 27 · 🔀 65 · 📋 49 - 40% open · ⏱️ 18.01.2025):
194194

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```
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git clone https://github.com/deepmodeling/deepflame-dev
@@ -203,7 +203,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 340 / month):
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- [PyPi](https://pypi.org/project/dpgen2) (📥 320 / month):
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```
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pip install dpgen2
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```
@@ -214,12 +214,12 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈16 · ⭐ 26) - 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 · 🔀 19 · 📦 4 · 📋 9 - 11% open · ⏱️ 09.01.2025):
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- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 20 · 📦 4 · 📋 9 - 11% open · ⏱️ 09.01.2025):
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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) (📥 1.6K / month):
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- [PyPi](https://pypi.org/project/apex-flow) (📥 1.5K / month):
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```
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pip install apex-flow
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```
@@ -231,33 +231,33 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 12K / month):
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- [PyPi](https://pypi.org/project/dpgui) (📥 11K / 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/DeePTB">DeePTB</a></b> (🥈15 · ⭐ 60) - 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/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 340) - 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/DeePTB) (👨‍💻 10 · 🔀 16 · 📦 2 · 📋 38 - 23% open · ⏱️ 01.01.2025):
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- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 9 · 🔀 51 · 📦 3 · 📋 46 - 58% open · ⏱️ 13.12.2024):
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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/dptb) (📥 300 / month):
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- [PyPi](https://pypi.org/project/jax-fem) (📥 490 / month):
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```
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pip install dptb
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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> (🥈14 · ⭐ 340) - 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/DeePTB">DeePTB</a></b> (🥈14 · ⭐ 60 · 📉) - 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/jax-fem) (👨‍💻 9 · 🔀 50 · 📦 3 · 📋 45 - 57% open · ⏱️ 13.12.2024):
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- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 10 · 🔀 16 · 📦 2 · 📋 38 - 23% open · ⏱️ 01.01.2025):
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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/DeePTB
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```
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- [PyPi](https://pypi.org/project/jax-fem) (📥 460 / month):
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- [PyPi](https://pypi.org/project/dptb) (📥 260 / month):
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```
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pip install jax-fem
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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/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>
@@ -267,7 +267,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 1.5K · ⏱️ 06.01.2024):
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- [Conda](https://anaconda.org/conda-forge/dmff) (📥 1.6K · ⏱️ 06.01.2024):
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```
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conda install -c conda-forge dmff
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@@ -279,7 +279,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 590 / month):
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- [PyPi](https://pypi.org/project/rid-kit) (📥 530 / month):
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```
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pip install rid-kit
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```
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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) (📥 2.7K / month):
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- [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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```
@@ -311,7 +311,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 140 / month):
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- [PyPi](https://pypi.org/project/dpti) (📥 130 / 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/blog">Blog</a></b> (🥉9 · ⭐ 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 · ⏱️ 22.01.2025):
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- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 9 · 🔀 8 · ⏱️ 05.02.2025):
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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/AIS-Square">AIS-Square</a></b> (🥉8 · ⭐ 13) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 24.01.2025):
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- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 05.02.2025):
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```
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git clone https://github.com/deepmodeling/AIS-Square
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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> (🥉8 · ⭐ 5 · 💤) - 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/DeePDih) (🔀 3 · 📥 3 · ⏱️ 19.04.2024):
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```
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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/fealpy">fealpy</a></b> (🥉8 · ⭐ 5 · 💤) - 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) (📥 500 / month):
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- [PyPi](https://pypi.org/project/fealpy) (📥 470 / month):
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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/fpop">fpop</a></b> (🥉8 · ⭐ 2) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
367+
<details><summary><b><a href="https://github.com/deepmodeling/fpop">fpop</a></b> (🥉8 · ⭐ 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 · 🔀 13 · 📦 12 · ⏱️ 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) (📥 680 / month):
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- [PyPi](https://pypi.org/project/fpop) (📥 630 / month):
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```
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pip install fpop
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```
@@ -396,6 +388,14 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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docker pull dptechnology/unifold
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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> (🥉7 · ⭐ 5 · 💤) - 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/DeePDih) (🔀 3 · 📥 3 · ⏱️ 19.04.2024):
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```
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git clone https://github.com/deepmodeling/DeePDih
397+
```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/community">community</a></b> (🥉6 · ⭐ 85) - DeepModeling community content. <code>Unlicensed</code></summary>
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- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 17 · 🔀 21 · ⏱️ 26.09.2024):
@@ -406,21 +406,21 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/tbplas">tbplas</a></b> (🥉6 · ⭐ 9 · 💤) - 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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- [GitHub](https://github.com/deepmodeling/tbplas) (👨‍💻 10 · 🔀 5 · ⏱️ 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>
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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>
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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/docs
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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 · ⭐ 87 · 💤) - AI for Science. <code>Unlicensed</code></summary>
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<details><summary><b><a href="https://github.com/deepmodeling/AI4Science101">AI4Science101</a></b> (🥉5 · ⭐ 89 · 💤) - AI for Science. <code>Unlicensed</code></summary>
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- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 14 · ⏱️ 04.09.2022):
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history/2025-02-06_changes.md

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## 📉 Trending Down
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_Projects that have a lower project-quality score compared to the last update. There might be a variety of reasons such as decreased downloads or code activity._
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- <b><a href="https://github.com/deepmodeling/dpgen">DP-GEN</a></b> (🥇23 · ⭐ 320 · 📉) - 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>
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- <b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈14 · ⭐ 60 · 📉) - 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>
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- <b><a href="https://github.com/deepmodeling/DeePDih">DeePDih</a></b> (🥉7 · ⭐ 5 · 💤) - Deep Potential driven molecular dihedral scan toolkit. <code><a href="http://bit.ly/34MBwT8">MIT</a></code>
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