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Update best-of list for version 2025.04.24
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README.md

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@@ -46,16 +46,16 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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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 · 🔀 520 · 📥 50K · 📦 30 · 📋 880 - 9% open · ⏱️ 02.03.2025):
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- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 75 · 🔀 520 · 📥 50K · 📦 31 · 📋 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) (📥 6.4K / month):
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- [PyPi](https://pypi.org/project/deepmd-kit) (📥 7K / month):
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```
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pip install deepmd-kit
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```
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- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 1.8M · ⏱️ 30.03.2025):
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- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 1.8M · ⏱️ 22.04.2025):
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```
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conda install -c conda-forge deepmd-kit
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```
@@ -70,16 +70,16 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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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 - 19% open · ⏱️ 20.03.2025):
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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) (📥 16K / 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) (📥 95K · ⏱️ 25.03.2025):
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- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 96K · ⏱️ 22.04.2025):
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```
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conda install -c conda-forge dpdata
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```
@@ -90,12 +90,12 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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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) (👨‍💻 130 · 🔀 140 · 📋 2.2K - 4% open · ⏱️ 17.04.2025):
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- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.2K - 4% open · ⏱️ 24.04.2025):
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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) (📥 380K · ⏱️ 25.03.2025):
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- [Conda](https://anaconda.org/conda-forge/abacus) (📥 390K · ⏱️ 22.04.2025):
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```
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conda install -c conda-forge abacus
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```
@@ -107,18 +107,18 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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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) (📥 1K / month):
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- [PyPi](https://pypi.org/project/dpgen) (📥 1.1K / 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) (📥 39K · ⏱️ 25.03.2025):
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- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 39K · ⏱️ 22.04.2025):
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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/dpdispatcher">dpdispatcher</a></b> (🥈21 · ⭐ 51) - 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 · 🔀 54 · 📦 57 · 📋 81 - 22% open · ⏱️ 28.01.2025):
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- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 54 · 📦 58 · 📋 81 - 22% open · ⏱️ 28.01.2025):
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```
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git clone https://github.com/deepmodeling/dpdispatcher
@@ -127,7 +127,7 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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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) (📥 25K · ⏱️ 25.03.2025):
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- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 25K · ⏱️ 22.04.2025):
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```
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conda install -c conda-forge dpdispatcher
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```
@@ -136,23 +136,23 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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docker pull dptechnology/dpdispatcher
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈19 · ⭐ 86 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
139+
<details><summary><b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈19 · ⭐ 87) - 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) (📥 5.1K / month):
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- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 4.9K / 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) (📥 570K · ⏱️ 25.03.2025):
150+
- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 580K · ⏱️ 22.04.2025):
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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/dflow">dflow</a></b> (🥈18 · ⭐ 69) - 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>
155+
<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈18 · ⭐ 70) - 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 · ⏱️ 14.04.2025):
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@@ -179,23 +179,23 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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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) (📥 23K / 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) (📥 43K · ⏱️ 25.03.2025):
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- [Conda](https://anaconda.org/conda-forge/dargs) (📥 43K · ⏱️ 22.04.2025):
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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 · ⭐ 38) - 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) (👨‍💻 15 · 🔀 29 · 📦 6 · 📋 35 - 34% open · ⏱️ 17.04.2025):
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- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 15 · 🔀 30 · 📦 6 · 📋 35 - 34% open · ⏱️ 17.04.2025):
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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) (📥 270 / month):
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- [PyPi](https://pypi.org/project/dpgen2) (📥 300 / month):
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```
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pip install dpgen2
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```
@@ -206,20 +206,20 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/deepflame-dev">DeepFlame</a></b> (🥈15 · ⭐ 160) - 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) (👨‍💻 26 · 🔀 66 · 📋 49 - 40% open · ⏱️ 18.01.2025):
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- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 26 · 🔀 67 · 📋 49 - 40% open · ⏱️ 23.04.2025):
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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/DeePTB">DeePTB</a></b> (🥈15 · ⭐ 74) - 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>
215+
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈15 · ⭐ 75) - 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 · 🔀 18 · 📦 2 · 📋 45 - 33% open · ⏱️ 07.04.2025):
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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) (📥 350 / month):
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- [PyPi](https://pypi.org/project/dptb) (📥 380 / month):
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```
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pip install dptb
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```
@@ -231,7 +231,7 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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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) (📥 1.1K / month):
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- [PyPi](https://pypi.org/project/apex-flow) (📥 1.3K / month):
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```
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pip install apex-flow
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```
@@ -243,19 +243,19 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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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/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 370 · 📈) - 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/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 380) - 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) (👨‍💻 10 · 🔀 58 · 📦 3 · 📋 48 - 56% open · ⏱️ 15.04.2025):
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- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 59 · 📦 3 · 📋 48 - 56% open · ⏱️ 15.04.2025):
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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) (📥 420 / month):
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- [PyPi](https://pypi.org/project/jax-fem) (📥 430 / 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 4K st
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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) (📥 1.9K · ⏱️ 25.03.2025):
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- [Conda](https://anaconda.org/conda-forge/dmff) (📥 1.9K · ⏱️ 22.04.2025):
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```
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conda install -c conda-forge dmff
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```
@@ -279,12 +279,12 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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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) (📥 480 / month):
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- [PyPi](https://pypi.org/project/rid-kit) (📥 510 / 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/GPUMD">GPUMD</a></b> (🥉12 · ⭐ 6 · 📈) - Graphics Processing Units Molecular Dynamics. <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/GPUMD">GPUMD</a></b> (🥉12 · ⭐ 7) - 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) (👨‍💻 45 · ⏱️ 12.04.2025):
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@@ -299,58 +299,58 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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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) (📥 2.2K / month):
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- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.9K / 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> (🥉10 · ⭐ 26 · 📈) - 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) (👨‍💻 17 · 🔀 19 · 📦 2 · 📋 10 - 90% open · ⏱️ 15.03.2025):
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```
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git clone https://github.com/deepmodeling/dpti
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```
314-
- [PyPi](https://pypi.org/project/dpti) (📥 150 / month):
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```
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pip install dpti
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```
318-
</details>
319-
<details><summary><b><a href="https://github.com/deepmodeling/args">args</a></b> (🥉10 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
307+
<details><summary><b><a href="https://github.com/deepmodeling/args">args</a></b> (🥉10 · ⭐ 2) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 06.03.2025):
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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) (📥 130 / month):
314+
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 140 / month):
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```
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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 · ⭐ 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>
332320

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- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 37 · 📋 27 - 37% open · ⏱️ 13.04.2024):
321+
- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 36 · 📋 27 - 37% 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/dpti">dpti</a></b> (🥉9 · ⭐ 26 · 📉) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
328+
329+
- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 17 · 🔀 19 · 📦 2 · 📋 10 - 90% open · ⏱️ 15.03.2025):
330+
331+
```
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git clone https://github.com/deepmodeling/dpti
333+
```
334+
- [PyPi](https://pypi.org/project/dpti) (📥 150 / month):
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```
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pip install dpti
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```
338+
</details>
339339
<details><summary><b><a href="https://github.com/deepmodeling/fpop">fpop</a></b> (🥉9 · ⭐ 3 · 💤) - <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 · 📦 14 · ⏱️ 01.07.2024):
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```
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git clone https://github.com/deepmodeling/fpop
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```
346-
- [PyPi](https://pypi.org/project/fpop) (📥 480 / month):
346+
- [PyPi](https://pypi.org/project/fpop) (📥 570 / month):
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```
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pip install fpop
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```
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</details>
351-
<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>
351+
<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>
352352

353-
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 07.04.2025):
353+
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 22.04.2025):
354354

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```
356356
git clone https://github.com/deepmodeling/AIS-Square
@@ -363,30 +363,30 @@ This curated list contains 38 awesome open-source projects with a total of 4K st
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```
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git clone https://github.com/deepmodeling/fealpy
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```
366-
- [PyPi](https://pypi.org/project/fealpy) (📥 670 / month):
366+
- [PyPi](https://pypi.org/project/fealpy) (📥 800 / month):
367367
```
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pip install fealpy
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```
370370
</details>
371-
<details><summary><b><a href="https://github.com/deepmodeling/blog">Blog</a></b> (🥉8 · ⭐ 2) - 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/tutorials">tutorials</a></b> (🥉7 · ⭐ 15) - Tutorials for DeepModeling projects. <code>Unlicensed</code></summary>
372372

373-
- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 9 · 🔀 8 · ⏱️ 08.04.2025):
373+
- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 11 · 🔀 23 · ⏱️ 03.04.2025):
374374

375375
```
376-
git clone https://github.com/deepmodeling/blog
376+
git clone https://github.com/deepmodeling/tutorials
377377
```
378378
</details>
379-
<details><summary><b><a href="https://github.com/deepmodeling/tutorials">tutorials</a></b> (🥉7 · ⭐ 15) - Tutorials for DeepModeling projects. <code>Unlicensed</code></summary>
379+
<details><summary><b><a href="https://github.com/deepmodeling/blog">Blog</a></b> (🥉7 · ⭐ 2 · 📉) - DeepModeling Blog. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
380380

381-
- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 11 · 🔀 23 · ⏱️ 03.04.2025):
381+
- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 9 · 🔀 8 · ⏱️ 08.04.2025):
382382

383383
```
384-
git clone https://github.com/deepmodeling/tutorials
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git clone https://github.com/deepmodeling/blog
385385
```
386386
</details>
387387
<details><summary><b><a href="https://github.com/deepmodeling/Uni-Fold">Uni-Fold</a></b> (🥉6 · ⭐ 92 · 💤) - <code><a href="http://bit.ly/3nYMfla">Apache-2</a></code></summary>
388388

389-
- [GitHub](https://github.com/deepmodeling/Uni-Fold) (👨‍💻 3 · 🔀 18 · ⏱️ 18.08.2022):
389+
- [GitHub](https://github.com/deepmodeling/Uni-Fold) (👨‍💻 3 · 🔀 19 · ⏱️ 18.08.2022):
390390

391391
```
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git clone https://github.com/deepmodeling/Uni-Fold

history/2025-04-24_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/dpti">dpti</a></b> (🥉9 · ⭐ 26 · 📉) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code>
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- <b><a href="https://github.com/deepmodeling/blog">Blog</a></b> (🥉7 · ⭐ 2 · 📉) - DeepModeling Blog. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code>
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