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Merge pull request #131 from deepmodeling/update/2026.01.01
Best-of update: 2026.01.01
2 parents 1344b14 + 0dba207 commit 727f074

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‎README.md‎

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@@ -51,7 +51,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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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) (📥 9.6K / month):
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- [PyPi](https://pypi.org/project/deepmd-kit) (📥 9.1K / month):
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```
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pip install deepmd-kit
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```
@@ -63,23 +63,35 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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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) (📥 4.8K · ⭐ 1 · ⏱️ 12.11.2025):
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- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 4.9K · ⭐ 1 · ⏱️ 27.12.2025):
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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/abacus-develop">ABACUS</a></b> (🥇25 · ⭐ 240 · 📈) - 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) (👨‍💻 140 · 🔀 150 · 📋 2.4K - 7% open · ⏱️ 31.12.2025):
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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) (📥 560K · ⏱️ 20.12.2025):
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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/dpgen">DP-GEN</a></b> (🥇24 · ⭐ 370) - 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) (👨‍💻 73 · 🔀 180 · 📥 2K · 📦 8 · 📋 330 - 10% open · ⏱️ 23.12.2025):
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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) (📥 790 / month):
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- [PyPi](https://pypi.org/project/dpgen) (📥 730 / 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) (📥 47K · ⏱️ 07.08.2025):
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- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 48K · ⏱️ 07.08.2025):
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```
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conda install -c conda-forge dpgen
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```
@@ -91,7 +103,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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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) (📥 24K / month):
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- [PyPi](https://pypi.org/project/dpdata) (📥 22K / month):
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```
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pip install dpdata
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```
@@ -104,26 +116,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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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/abacus-develop">ABACUS</a></b> (🥇24 · ⭐ 230) - 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>
119+
<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥈22 · ⭐ 53 · 📉) - 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/abacus-develop) (👨‍💻 140 · 🔀 150 · 📋 2.4K - 7% open · ⏱️ 25.12.2025):
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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) (📥 560K · ⏱️ 20.12.2025):
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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> (🥈23 · ⭐ 53) - 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) (👨‍💻 48 · 🔀 56 · 📦 69 · 📋 96 - 18% open · ⏱️ 21.12.2025):
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- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 48 · 🔀 56 · 📦 69 · 📋 97 - 18% open · ⏱️ 21.12.2025):
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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) (📥 2.7K / month):
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- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.3K / month):
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```
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pip install dpdispatcher
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```
@@ -136,14 +136,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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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> (🥈18 · ⭐ 95) - 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> (🥈19 · ⭐ 95 · 📈) - 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) (👨‍💻 19 · 🔀 42 · 📦 3 · 📋 130 - 5% open · ⏱️ 02.10.2025):
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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) (📥 1.1K / month):
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- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 1K / month):
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```
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pip install reacnetgenerator
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```
@@ -152,7 +152,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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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> (🥈17 · ⭐ 78 · 📉) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈17 · ⭐ 79) - 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>
156156

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- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 29 · 📋 36 - 36% open · ⏱️ 23.09.2025):
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@@ -172,22 +172,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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docker pull dptechnology/dflow
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/deepflame-dev">DeepFlame</a></b> (🥈16 · ⭐ 200) - 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) (👨‍💻 29 · 🔀 72 · 📋 60 - 43% open · ⏱️ 23.07.2025):
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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> (🥈16 · ⭐ 94) - DeePTB: A deep learning package for tight-binding Hamiltonian 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> (🥈16 · ⭐ 95) - DeePTB: A deep learning package for tight-binding Hamiltonian 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) (👨‍💻 14 · 🔀 25 · 📦 4 · 📋 57 - 31% open · ⏱️ 24.12.2025):
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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) (📥 180 / month):
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- [PyPi](https://pypi.org/project/dptb) (📥 160 / month):
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```
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pip install dptb
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```
@@ -199,7 +191,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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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) (📥 94 / month):
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- [PyPi](https://pypi.org/project/dpgen2) (📥 89 / month):
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```
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pip install dpgen2
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```
@@ -215,27 +207,35 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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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) (📥 32K / month):
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- [PyPi](https://pypi.org/project/dargs) (📥 30K / 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) (📥 57K · ⏱️ 22.04.2025):
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- [Conda](https://anaconda.org/conda-forge/dargs) (📥 58K · ⏱️ 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/jax-fem">JAX-FEM</a></b> (🥈15 · ⭐ 550 · 📉) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
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<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈15 · ⭐ 550) - 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) (👨‍💻 17 · 🔀 90 · 📦 3 · 📋 68 - 33% open · ⏱️ 13.11.2025):
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- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 17 · 🔀 90 · 📦 3 · 📋 69 - 34% open · ⏱️ 13.11.2025):
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```
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git clone https://github.com/deepmodeling/jax-fem
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- [PyPi](https://pypi.org/project/jax-fem) (📥 750 / month):
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- [PyPi](https://pypi.org/project/jax-fem) (📥 590 / month):
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```
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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/deepflame-dev">DeepFlame</a></b> (🥈15 · ⭐ 200 · 📉) - 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) (👨‍💻 29 · 🔀 72 · 📋 60 - 43% open · ⏱️ 23.07.2025):
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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/DMFF">DMFF</a></b> (🥈14 · ⭐ 180) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 17 · 🔀 47 · 📋 28 - 28% open · ⏱️ 06.08.2025):
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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) (📥 290 / month):
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- [PyPi](https://pypi.org/project/apex-flow) (📥 220 / month):
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```
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pip install apex-flow
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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) (📥 19K / month):
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- [PyPi](https://pypi.org/project/dpgui) (📥 18K / 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 · ⭐ 9) - 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 · ⭐ 11) - 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) (👨‍💻 55 · ⏱️ 12.12.2025):
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@@ -299,7 +299,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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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) (📥 1.5K / month):
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- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.2K / month):
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```
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pip install deepmodeling_sphinx
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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) (📥 440 / month):
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- [PyPi](https://pypi.org/project/fealpy) (📥 520 / month):
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```
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pip install fealpy
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@@ -336,17 +336,25 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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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/community">community</a></b> (🥉9 · ⭐ 89 · 📈) - DeepModeling community content. <code>Unlicensed</code></summary>
339+
<details><summary><b><a href="https://github.com/deepmodeling/community">community</a></b> (🥉9 · ⭐ 90) - DeepModeling community content. <code>Unlicensed</code></summary>
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- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 20 · 🔀 23 · ⏱️ 25.12.2025):
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```
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git clone https://github.com/deepmodeling/community
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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> (🥉9 · ⭐ 15 · 📈) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
348+
349+
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 29.12.2025):
350+
351+
```
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git clone https://github.com/deepmodeling/AIS-Square
353+
```
354+
</details>
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<details><summary><b><a href="https://github.com/deepmodeling/blog">Blog</a></b> (🥉9 · ⭐ 3) - DeepModeling Blog. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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349-
- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 11 · 🔀 9 · ⏱️ 21.12.2025):
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- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 11 · 🔀 9 · ⏱️ 26.12.2025):
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```
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git clone https://github.com/deepmodeling/blog
@@ -359,27 +367,19 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
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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) (📥 330 / month):
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- [PyPi](https://pypi.org/project/fpop) (📥 220 / month):
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```
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pip install fpop
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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 · ⭐ 15 · 📉) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
368-
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- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 23.12.2025):
370-
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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/args">args</a></b> (🥉8 · ⭐ 2) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
376376

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- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 15.12.2025):
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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) (📥 49 / month):
382+
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 27 / month):
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```
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npm install @deepmodeling/args
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```

‎history/2026-01-01_changes.md‎

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## 📈 Trending Up
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_Projects that have a higher project-quality score compared to the last update. There might be a variety of reasons, such as increased downloads or code activity._
4+
5+
- <b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇25 · ⭐ 240 · 📈) - 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>
6+
- <b><a href="https://github.com/deepmodeling/reacnetgenerator">reacnetgenerator</a></b> (🥈19 · ⭐ 95 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code>
7+
- <b><a href="https://github.com/deepmodeling/AIS-Square">AIS-Square</a></b> (🥉9 · ⭐ 15 · 📈) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code>
8+
9+
## 📉 Trending Down
10+
11+
_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._
12+
13+
- <b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥈22 · ⭐ 53 · 📉) - 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>
14+
- <b><a href="https://github.com/deepmodeling/deepflame-dev">DeepFlame</a></b> (🥈15 · ⭐ 200 · 📉) - A deep learning empowered open-source platform for reacting flow simulations. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code>
15+

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