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<details ><summary ><b ><a href =" https://github.com/deepmodeling/deepmd-kit " >DeePMD-kit</a ></b > (🥇26 · ⭐ 1.5K) - A deep learning package for many-body potential energy representation and molecular dynamics. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/deepmd-kit ) (👨💻 69 · 🔀 490 · 📥 42K · 📦 19 · 📋 800 - 9% open · ⏱️ 17.09.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/deepmd-kit ) (👨💻 69 · 🔀 490 · 📥 42K · 📦 20 · 📋 800 - 9% open · ⏱️ 17.09.2024):
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```
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git clone https://github.com/deepmodeling/deepmd-kit
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```
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pip install deepmd-kit
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```
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- - [ Conda] ( https://anaconda.org/conda-forge/deepmd-kit ) (📥 1.1M · ⏱️ 25.09.2024):
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+ - [ Conda] ( https://anaconda.org/conda-forge/deepmd-kit ) (📥 1.2M · ⏱️ 25.09.2024):
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```
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conda install -c conda-forge deepmd-kit
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```
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- - [ npm] ( https://www.npmjs.com/package/deepmd-kit ) (📥 10 / month):
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+ - [ npm] ( https://www.npmjs.com/package/deepmd-kit ) (📥 4 / month):
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```
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npm install deepmd-kit
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```
@@ -70,24 +70,24 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/abacus-develop " >ABACUS</a ></b > (🥇26 · ⭐ 170) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/abacus-develop ) (👨💻 120 · 🔀 130 · 📋 1.9K - 7% open · ⏱️ 24 .10.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/abacus-develop ) (👨💻 120 · 🔀 130 · 📋 2K - 7% open · ⏱️ 31 .10.2024):
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```
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git clone https://github.com/deepmodeling/abacus-develop
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```
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- - [ Conda] ( https://anaconda.org/conda-forge/abacus ) (📥 210K · ⏱️ 30.09.2024):
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+ - [ Conda] ( https://anaconda.org/conda-forge/abacus ) (📥 220K · ⏱️ 30.09.2024):
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```
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conda install -c conda-forge abacus
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```
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpdata " >dpdata</a ></b > (🥇24 · ⭐ 200) - A Python package for manipulating atomistic data of software in computational science. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpdata " >dpdata</a ></b > (🥇25 · ⭐ 200 · 📈 ) - A Python package for manipulating atomistic data of software in computational science. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/dpdata ) (👨💻 61 · 🔀 120 · 📦 130 · 📋 100 - 20% open · ⏱️ 20.09.2024):
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```
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git clone https://github.com/deepmodeling/dpdata
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```
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- - [ PyPi] ( https://pypi.org/project/dpdata ) (📥 53K / month):
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```
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pip install dpdata
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@@ -100,14 +100,14 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpdispatcher " >dpdispatcher</a ></b > (🥇23 · ⭐ 42 ) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpdispatcher " >dpdispatcher</a ></b > (🥇24 · ⭐ 44 · 📈 ) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/dpdispatcher ) (👨💻 47 · 🔀 54 · 📦 52 · 📋 79 - 20% open · ⏱️ 06 .10.2024):
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```
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```
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- - [ PyPi] ( https://pypi.org/project/dpdispatcher ) (📥 7.6K / month):
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```
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pip install dpdispatcher
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```
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```
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```
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- - [ PyPi] ( https://pypi.org/project/dpgen ) (📥 1.7K / month):
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```
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pip install dpgen
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```
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```
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git clone https://github.com/deepmodeling/reacnetgenerator
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```
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- - [ PyPi] ( https://pypi.org/project/reacnetgenerator ) (📥 8.7K / month):
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```
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```
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- - [ Conda] ( https://anaconda.org/conda-forge/reacnetgenerator ) (📥 430K · ⏱️ 04.10.2024):
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+ - [ Conda] ( https://anaconda.org/conda-forge/reacnetgenerator ) (📥 440K · ⏱️ 04.10.2024):
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```
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conda install -c conda-forge reacnetgenerator
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```
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/dflow " >dflow</a ></b > (🥈19 · ⭐ 63) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/dflow ) (👨💻 22 · 🔀 25 · 📋 35 - 40% open · ⏱️ 23 .10.2024):
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```
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git clone https://github.com/deepmodeling/dflow
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```
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conda install -c conda-forge dflow
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```
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- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dflow ) (📥 9.3K · ⏱️ 23 .10.2024):
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+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dflow ) (📥 9.3K · ⏱️ 31 .10.2024):
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```
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docker pull dptechnology/dflow
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```
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/dargs " >dargs</a ></b > (🥈18 · ⭐ 5 · 📉) - Argument processing for the deep modeling project. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/dargs ) (👨💻 7 · 🔀 3 · 📦 130 · 📋 8 - 25% open · ⏱️ 17.07.2024):
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- ```
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- git clone https://github.com/deepmodeling/dargs
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- ```
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- - [ PyPi] ( https://pypi.org/project/dargs ) (📥 57K / month):
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- ```
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- pip install dargs
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- ```
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- - [ Conda] ( https://anaconda.org/conda-forge/dargs ) (📥 33K · ⏱️ 15.07.2024):
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- ```
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- conda install -c conda-forge dargs
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- ```
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- </details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/deepflame-dev " >DeepFlame</a ></b > (🥈17 · ⭐ 140) - A deep learning empowered open-source platform for reacting flow simulations. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/deepflame-dev ) (👨💻 24 · 🔀 60 · 📋 47 - 38 % open · ⏱️ 12.10.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/deepflame-dev ) (👨💻 24 · 🔀 61 · 📋 48 - 39 % open · ⏱️ 12.10.2024):
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```
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git clone https://github.com/deepmodeling/deepflame-dev
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```
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/dpgen2 " >DPGEN2</a ></b > (🥈17 · ⭐ 33) - 2nd generation of the Deep Potential GENerator. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/dpgen2 ) (👨💻 14 · 🔀 24 · 📦 5 · 📋 32 - 28% open · ⏱️ 23 .10.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/dpgen2 ) (👨💻 14 · 🔀 25 · 📦 5 · 📋 32 - 28% open · ⏱️ 29 .10.2024):
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```
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git clone https://github.com/deepmodeling/dpgen2
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```
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- - [ PyPi] ( https://pypi.org/project/dpgen2 ) (📥 720 / month):
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+ - [ PyPi] ( https://pypi.org/project/dpgen2 ) (📥 690 / month):
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```
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pip install dpgen2
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```
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- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpgen2 ) (📥 3.6K · ⏱️ 23 .10.2024):
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+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpgen2 ) (📥 3.6K · ⏱️ 29 .10.2024):
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```
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docker pull dptechnology/dpgen2
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```
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</details >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/dargs " >dargs</a ></b > (🥈17 · ⭐ 5 · 📉) - Argument processing for the deep modeling project. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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+ - [ GitHub] ( https://github.com/deepmodeling/dargs ) (👨💻 7 · 🔀 3 · 📦 130 · 📋 8 - 25% open · ⏱️ 28.10.2024):
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+
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+ ```
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+ git clone https://github.com/deepmodeling/dargs
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+ ```
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+ - [ PyPi] ( https://pypi.org/project/dargs ) (📥 55K / month):
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+ ```
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+ pip install dargs
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+ ```
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+ - [ Conda] ( https://anaconda.org/conda-forge/dargs ) (📥 33K · ⏱️ 15.07.2024):
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+ ```
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+ conda install -c conda-forge dargs
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+ ```
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+ </details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/DeePTB " >DeePTB</a ></b > (🥈16 · ⭐ 52) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/DeePTB ) (👨💻 10 · 🔀 15 · 📦 2 · 📋 36 - 22% open · ⏱️ 03.10.2024):
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```
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git clone https://github.com/deepmodeling/DeePTB
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```
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- - [ PyPi] ( https://pypi.org/project/dptb ) (📥 610 / month):
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+ - [ PyPi] ( https://pypi.org/project/dptb ) (📥 580 / month):
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```
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pip install dptb
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```
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/APEX " >APEX</a ></b > (🥈16 · ⭐ 23) - APEX: Alloy Properties EXplorer using simulations. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/APEX ) (👨💻 6 · 🔀 16 · 📦 2 · ⏱️ 11 .10.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/APEX ) (👨💻 6 · 🔀 16 · 📦 2 · ⏱️ 25 .10.2024):
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```
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git clone https://github.com/deepmodeling/APEX
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```
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- - [ PyPi] ( https://pypi.org/project/apex-flow ) (📥 5 .6K / month):
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+ - [ PyPi] ( https://pypi.org/project/apex-flow ) (📥 6 .6K / month):
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```
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pip install apex-flow
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/jax-fem " >JAX-FEM</a ></b > (🥈15 · ⭐ 270 ) - Differentiable Finite Element Method with JAX. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/jax-fem " >JAX-FEM</a ></b > (🥈15 · ⭐ 280 ) - Differentiable Finite Element Method with JAX. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/jax-fem ) (👨💻 8 · 🔀 42 · 📦 3 · 📋 34 - 61 % open · ⏱️ 09 .10.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/jax-fem ) (👨💻 8 · 🔀 42 · 📦 3 · 📋 35 - 62 % open · ⏱️ 30 .10.2024):
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```
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git clone https://github.com/deepmodeling/jax-fem
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```
246
- - [ PyPi] ( https://pypi.org/project/jax-fem ) (📥 670 / month):
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+ - [ PyPi] ( https://pypi.org/project/jax-fem ) (📥 710 / month):
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```
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pip install jax-fem
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```
@@ -267,7 +267,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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```
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git clone https://github.com/deepmodeling/rid-kit
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```
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- - [ PyPi] ( https://pypi.org/project/rid-kit ) (📥 860 / month):
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+ - [ PyPi] ( https://pypi.org/project/rid-kit ) (📥 880 / month):
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```
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pip install rid-kit
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```
@@ -279,59 +279,59 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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```
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git clone https://github.com/deepmodeling/dpgui
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```
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- - [ PyPi] ( https://pypi.org/project/dpgui ) (📥 26K / month):
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```
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pip install dpgui
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```
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/deepmodeling_sphinx " >deepmodeling_sphinx</a ></b > (🥉13 · ⭐ 3) - Sphinx extension for DeepModeling projects. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/deepmodeling_sphinx ) (👨💻 7 · 🔀 7 · ⏱️ 11.09 .2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/deepmodeling_sphinx ) (👨💻 7 · 🔀 7 · ⏱️ 27.10 .2024):
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```
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git clone https://github.com/deepmodeling/deepmodeling_sphinx
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```
294
- - [ PyPi] ( https://pypi.org/project/deepmodeling_sphinx ) (📥 3.9K / month):
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+ - [ PyPi] ( https://pypi.org/project/deepmodeling_sphinx ) (📥 4.2K / month):
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```
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pip install deepmodeling_sphinx
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpti " >dpti</a ></b > (🥉11 · ⭐ 21 ) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpti " >dpti</a ></b > (🥉11 · ⭐ 22 ) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/dpti ) (👨💻 19 · 🔀 19 · 📦 2 · ⏱️ 14.08.2024):
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```
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git clone https://github.com/deepmodeling/dpti
305
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```
306
- - [ PyPi] ( https://pypi.org/project/dpti ) (📥 320 / month):
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+ - [ PyPi] ( https://pypi.org/project/dpti ) (📥 290 / month):
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```
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pip install dpti
309
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```
310
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/GPUMD " >GPUMD</a ></b > (🥉11 · ⭐ 3 · 🐣) - Graphics Processing Units Molecular Dynamics. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/GPUMD ) (👨💻 35 · ⏱️ 21 .10.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/GPUMD ) (👨💻 35 · ⏱️ 30 .10.2024):
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```
316
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git clone https://github.com/deepmodeling/GPUMD
317
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```
318
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</details >
319
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/deepks-kit " >DeePKS-kit</a ></b > (🥉10 · ⭐ 100) - a package for developing machine learning-based chemically accurate energy and density functional models. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
320
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- - [ GitHub] ( https://github.com/deepmodeling/deepks-kit ) (👨💻 7 · 🔀 35 · 📋 20 - 30% open · ⏱️ 13.04.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/deepks-kit ) (👨💻 7 · 🔀 36 · 📋 20 - 30% open · ⏱️ 13.04.2024):
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```
324
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git clone https://github.com/deepmodeling/deepks-kit
325
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```
326
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</details >
327
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/fpop " >fpop</a ></b > (🥉9 · ⭐ 2) - <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
328
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- - [ GitHub] ( https://github.com/deepmodeling/fpop ) (👨💻 4 · 🔀 11 · 📦 10 · ⏱️ 01.07.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/fpop ) (👨💻 4 · 🔀 12 · 📦 10 · ⏱️ 01.07.2024):
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```
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git clone https://github.com/deepmodeling/fpop
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```
334
- - [ PyPi] ( https://pypi.org/project/fpop ) (📥 2.2K / month):
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+ - [ PyPi] ( https://pypi.org/project/fpop ) (📥 2.4K / month):
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```
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pip install fpop
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```
@@ -363,7 +363,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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```
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git clone https://github.com/deepmodeling/args
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```
366
- - [ npm] ( https://www.npmjs.com/package/@deepmodeling/args ) (📥 42 / month):
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+ - [ npm] ( https://www.npmjs.com/package/@deepmodeling/args ) (📥 44 / month):
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```
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npm install @deepmodeling/args
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```
@@ -375,7 +375,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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```
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git clone https://github.com/deepmodeling/Uni-Fold
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```
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- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/unifold ) (📥 760 · ⏱️ 08.01.2024):
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+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/unifold ) (📥 770 · ⏱️ 08.01.2024):
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```
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docker pull dptechnology/unifold
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```
@@ -404,36 +404,36 @@ This curated list contains 38 awesome open-source projects with a total of 3.5K
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git clone https://github.com/deepmodeling/AIS-Square
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/tbplas " >tbplas</a ></b > (🥉6 · ⭐ 7 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). <code >Unlicensed</code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/tbplas " >tbplas</a ></b > (🥉6 · ⭐ 8 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). <code >Unlicensed</code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/tbplas ) (👨💻 10 · 🔀 4 · ⏱️ 17.01.2024):
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```
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git clone https://github.com/deepmodeling/tbplas
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/docs " >docs </a ></b > (🥉6 · ⭐ 3 ) - The home page of DeepModeling documentation . <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0 </a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/DeePDih " >DeePDih </a ></b > (🥉6 · ⭐ 4 · 📈 ) - Deep Potential driven molecular dihedral scan toolkit . <code ><a href =" http://bit.ly/34MBwT8 " >MIT </a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/docs ) (👨💻 8 · 🔀 7 · ⏱️ 11 .04.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/DeePDih ) (🔀 3 · ⏱️ 19 .04.2024):
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```
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- git clone https://github.com/deepmodeling/docs
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+ git clone https://github.com/deepmodeling/DeePDih
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/AI4Science101 " >AI4Science101 </a ></b > (🥉5 · ⭐ 84 · 💤 ) - AI for Science . <code >Unlicensed </code ></summary >
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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/AI4Science101 ) (👨💻 5 · 🔀 13 · ⏱️ 04.09.2022 ):
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+ - [ GitHub] ( https://github.com/deepmodeling/docs ) (👨💻 8 · 🔀 7 · ⏱️ 28.10.2024 ):
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```
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- git clone https://github.com/deepmodeling/AI4Science101
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+ git clone https://github.com/deepmodeling/docs
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/DeePDih " >DeePDih </a ></b > (🥉5 · ⭐ 4 ) - Deep Potential driven molecular dihedral scan toolkit . <code >< a href = " http://bit.ly/34MBwT8 " >MIT</ a > </code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/AI4Science101 " >AI4Science101 </a ></b > (🥉5 · ⭐ 84 · 💤 ) - AI for Science . <code >Unlicensed </code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/DeePDih ) (🔀 2 · ⏱️ 19. 04.2024 ):
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+ - [ GitHub] ( https://github.com/deepmodeling/AI4Science101 ) (👨💻 5 · 🔀 13 · ⏱️ 04.09.2022 ):
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```
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- git clone https://github.com/deepmodeling/DeePDih
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+ git clone https://github.com/deepmodeling/AI4Science101
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```
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/DeepH-pack " >DeepH-pack</a ></b > (🥉4 · ⭐ 11 · 💤) - Deep neural networks for density functional theory Hamiltonian. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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