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<details ><summary ><b ><a href =" https://github.com/deepmodeling/deepmd-kit " >DeePMD-kit</a ></b > (🥇28 · ⭐ 1.4K) - 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 ) (👨💻 68 · 🔀 470 · 📥 36K · 📦 14 · 📋 690 - 13 % open · ⏱️ 06.04.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/deepmd-kit ) (👨💻 68 · 🔀 470 · 📥 37K · 📦 14 · 📋 690 - 11 % open · ⏱️ 06.04.2024):
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```
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git clone https://github.com/deepmodeling/deepmd-kit
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```
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- - [ PyPi] ( https://pypi.org/project/deepmd-kit ) (📥 1.3K / month):
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+ - [ PyPi] ( https://pypi.org/project/deepmd-kit ) (📥 1.1K / 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 ) (📥 580K · ⏱️ 07.04 .2024):
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+ - [ Conda] ( https://anaconda.org/conda-forge/deepmd-kit ) (📥 600K · ⏱️ 27.05 .2024):
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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 36 awesome open-source projects with a total of 3.1K
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/dpdata " >dpdata</a ></b > (🥇24 · ⭐ 180) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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- - [ GitHub] ( https://github.com/deepmodeling/dpdata ) (👨💻 57 · 🔀 120 · 📦 120 · 📋 89 - 15 % open · ⏱️ 03.04.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/dpdata ) (👨💻 57 · 🔀 120 · 📦 120 · 📋 91 - 17 % open · ⏱️ 03.04.2024):
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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 ) (📥 22K / month):
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+ - [ PyPi] ( https://pypi.org/project/dpdata ) (📥 30K / 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 ) (📥 67K · ⏱️ 03.04.2024):
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+ - [ Conda] ( https://anaconda.org/conda-forge/dpdata ) (📥 68K · ⏱️ 03.04.2024):
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```
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conda install -c conda-forge dpdata
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```
@@ -88,26 +88,26 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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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 · ⭐ 140 ) - 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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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/abacus-develop " >ABACUS</a ></b > (🥇24 · ⭐ 150 ) - 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 · 🔀 120 · 📋 1.5K - 14 % open · ⏱️ 23 .05.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/abacus-develop ) (👨💻 120 · 🔀 120 · 📋 1.5K - 15 % open · ⏱️ 30 .05.2024):
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```
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```
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- - [ Conda] ( https://anaconda.org/conda-forge/abacus ) (📥 42K · ⏱️ 11 .05.2024):
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+ - [ Conda] ( https://anaconda.org/conda-forge/abacus ) (📥 46K · ⏱️ 27 .05.2024):
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```
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conda install -c conda-forge abacus
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpgen " >DP-GEN</a ></b > (🥇23 · ⭐ 280 · 📉 ) - 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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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpgen " >DP-GEN</a ></b > (🥇23 · ⭐ 280) - 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 ) (👨💻 64 · 🔀 170 · 📥 1.7K · 📦 5 · 📋 280 - 9% open · ⏱️ 10.04.2024):
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```
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git clone https://github.com/deepmodeling/dpgen
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```
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- - [ PyPi] ( https://pypi.org/project/dpgen ) (📥 430 / month):
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+ - [ PyPi] ( https://pypi.org/project/dpgen ) (📥 410 / month):
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```
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pip install dpgen
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```
@@ -118,43 +118,43 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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</details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/dpdispatcher " >dpdispatcher</a ></b > (🥈22 · ⭐ 40) - 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 ) (👨💻 44 · 🔀 52 · 📦 47 · 📋 70 - 22 % open · ⏱️ 14 .05.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/dpdispatcher ) (👨💻 46 · 🔀 53 · 📦 47 · 📋 70 - 21 % open · ⏱️ 29 .05.2024):
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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 ) (📥 2.1K / month):
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+ - [ PyPi] ( https://pypi.org/project/dpdispatcher ) (📥 2.4K / month):
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```
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pip install dpdispatcher
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```
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- - [ Conda] ( https://anaconda.org/conda-forge/dpdispatcher ) (📥 8.4K · ⏱️ 21.01.2024):
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+ - [ Conda] ( https://anaconda.org/conda-forge/dpdispatcher ) (📥 8.7K · ⏱️ 21.01.2024):
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```
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conda install -c conda-forge dpdispatcher
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```
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- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpdispatcher ) (📥 96K · ⏱️ 21.01 .2024):
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+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpdispatcher ) (📥 97K · ⏱️ 27.05 .2024):
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```
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docker pull dptechnology/dpdispatcher
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```
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</details >
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- <details ><summary ><b ><a href =" https://github.com/deepmodeling/reacnetgenerator " >reacnetgenerator</a ></b > (🥈20 · ⭐ 61 · 📉 ) - 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 > (🥈20 · ⭐ 61) - 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 · 🔀 35 · 📋 120 - 3% open · ⏱️ 17.05.2024):
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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 ) (📥 1.5K / month):
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+ - [ PyPi] ( https://pypi.org/project/reacnetgenerator ) (📥 1.3K / 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 ) (📥 300K · ⏱️ 10.05.2024):
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+ - [ Conda] ( https://anaconda.org/conda-forge/reacnetgenerator ) (📥 310K · ⏱️ 10.05.2024):
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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 > (🥈18 · ⭐ 54) - 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 · 🔀 23 · 📋 35 - 40% open · ⏱️ 23 .05.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/dflow ) (👨💻 22 · 🔀 23 · 📋 35 - 40% open · ⏱️ 30 .05.2024):
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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 ) (📥 3.3K · ⏱️ 23 .05.2024):
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+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dflow ) (📥 3.3K · ⏱️ 30 .05.2024):
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```
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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/DeePTB " >DeePTB</a ></b > (🥈17 · ⭐ 31 ) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/DeePTB " >DeePTB</a ></b > (🥈17 · ⭐ 32 ) - 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 ) (👨💻 9 · 🔀 12 · 📋 32 - 25 % open · ⏱️ 22 .05.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/DeePTB ) (👨💻 9 · 🔀 12 · 📋 33 - 27 % open · ⏱️ 29 .05.2024):
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```
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git clone https://github.com/deepmodeling/DeePTB
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```
182
- - [ 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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```
@@ -191,7 +191,7 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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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 ) (📥 40K / month):
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+ - [ PyPi] ( https://pypi.org/project/dargs ) (📥 54K / month):
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```
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pip install dargs
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```
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```
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git clone https://github.com/deepmodeling/rid-kit
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```
218
- - [ PyPi] ( https://pypi.org/project/rid-kit ) (📥 270 / month):
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+ - [ PyPi] ( https://pypi.org/project/rid-kit ) (📥 260 / 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/dpgen2 " >DPGEN2</a ></b > (🥈15 · ⭐ 29) - 2nd generation of the Deep Potential GENerator. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
224
-
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- - [ GitHub] ( https://github.com/deepmodeling/dpgen2 ) (👨💻 13 · 🔀 22 · 📦 2 · 📋 29 - 41% open · ⏱️ 17.05.2024):
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-
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- ```
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- git clone https://github.com/deepmodeling/dpgen2
229
- ```
230
- - [ PyPi] ( https://pypi.org/project/dpgen2 ) (📥 69 / month):
231
- ```
232
- pip install dpgen2
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- ```
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- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpgen2 ) (📥 2.4K · ⏱️ 17.05.2024):
235
- ```
236
- docker pull dptechnology/dpgen2
237
- ```
238
- </details >
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/APEX " >APEX</a ></b > (🥈15 · ⭐ 19) - APEX: Alloy Properties EXplorer using simulations. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
240
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- - [ GitHub] ( https://github.com/deepmodeling/APEX ) (👨💻 6 · 🔀 15 · 📋 5 - 20 % open · ⏱️ 06.05.2024):
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+ - [ GitHub] ( https://github.com/deepmodeling/APEX ) (👨💻 6 · 🔀 15 · 📋 6 - 16 % open · ⏱️ 06.05.2024):
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```
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git clone https://github.com/deepmodeling/APEX
245
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```
246
- - [ PyPi] ( https://pypi.org/project/apex-flow ) (📥 290 / month):
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+ - [ PyPi] ( https://pypi.org/project/apex-flow ) (📥 450 / month):
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```
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pip install apex-flow
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```
@@ -255,19 +239,35 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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```
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git clone https://github.com/deepmodeling/dpgui
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```
258
- - [ PyPi] ( https://pypi.org/project/dpgui ) (📥 22K / month):
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+ - [ PyPi] ( https://pypi.org/project/dpgui ) (📥 30K / month):
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```
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pip install dpgui
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```
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</details >
263
- <details ><summary ><b ><a href =" https://github.com/deepmodeling/jax-fem " >JAX-FEM</a ></b > (🥈13 · ⭐ 160 · 📉) - Differentiable Finite Element Method with JAX. <code ><a href =" http://bit.ly/2M0xdwT " >GPL-3.0</a ></code ></summary >
247
+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpgen2 " >DPGEN2</a ></b > (🥈14 · ⭐ 29 · 📉) - 2nd generation of the Deep Potential GENerator. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
248
+
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+ - [ GitHub] ( https://github.com/deepmodeling/dpgen2 ) (👨💻 13 · 🔀 22 · 📦 2 · 📋 30 - 40% open · ⏱️ 29.05.2024):
250
+
251
+ ```
252
+ git clone https://github.com/deepmodeling/dpgen2
253
+ ```
254
+ - [ PyPi] ( https://pypi.org/project/dpgen2 ) (📥 52 / month):
255
+ ```
256
+ pip install dpgen2
257
+ ```
258
+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/dpgen2 ) (📥 2.4K · ⏱️ 29.05.2024):
259
+ ```
260
+ docker pull dptechnology/dpgen2
261
+ ```
262
+ </details >
263
+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/jax-fem " >JAX-FEM</a ></b > (🥈13 · ⭐ 170) - 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 ) (👨💻 7 · 🔀 29 · 📋 22 - 77% open · ⏱️ 17.05.2024):
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```
268
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git clone https://github.com/deepmodeling/jax-fem
269
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```
270
- - [ PyPi] ( https://pypi.org/project/jax-fem ) (📥 100 / month):
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+ - [ PyPi] ( https://pypi.org/project/jax-fem ) (📥 74 / month):
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```
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pip install jax-fem
273
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```
@@ -279,7 +279,7 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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```
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git clone https://github.com/deepmodeling/DMFF
281
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```
282
- - [ Conda] ( https://anaconda.org/conda-forge/dmff ) (📥 330 · ⏱️ 06.01.2024):
282
+ - [ Conda] ( https://anaconda.org/conda-forge/dmff ) (📥 360 · ⏱️ 06.01.2024):
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```
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conda install -c conda-forge dmff
285
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```
@@ -291,14 +291,14 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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```
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git clone https://github.com/deepmodeling/deepmodeling_sphinx
293
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```
294
- - [ PyPi] ( https://pypi.org/project/deepmodeling_sphinx ) (📥 2.6K / month):
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+ - [ PyPi] ( https://pypi.org/project/deepmodeling_sphinx ) (📥 3K / month):
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```
296
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pip install deepmodeling_sphinx
297
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```
298
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</details >
299
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<details ><summary ><b ><a href =" https://github.com/deepmodeling/args " >args</a ></b > (🥉12 · ⭐ 2) - DeepModeling dargs arguments generation. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
300
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- - [ GitHub] ( https://github.com/deepmodeling/args ) (👨💻 3 · 🔀 2 · 📦 5 · ⏱️ 11.04 .2024):
301
+ - [ GitHub] ( https://github.com/deepmodeling/args ) (👨💻 3 · 🔀 2 · 📦 5 · ⏱️ 28.05 .2024):
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```
304
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git clone https://github.com/deepmodeling/args
@@ -316,14 +316,14 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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git clone https://github.com/deepmodeling/deepks-kit
317
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```
318
318
</details >
319
- <details ><summary ><b ><a href =" https://github.com/deepmodeling/fealpy " >fealpy</a ></b > (🥉10 · ⭐ 2 · 📉 ) - Finite Element Analysis Library in Python. <code >Unlicensed</code ></summary >
319
+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/fealpy " >fealpy</a ></b > (🥉10 · ⭐ 2) - Finite Element Analysis Library in Python. <code >Unlicensed</code ></summary >
320
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- [ GitHub] ( https://github.com/deepmodeling/fealpy ) (👨💻 57 · 🔀 2 · ⏱️ 24.04.2024):
322
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```
324
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git clone https://github.com/deepmodeling/fealpy
325
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```
326
- - [ PyPi] ( https://pypi.org/project/fealpy ) (📥 130 / month):
326
+ - [ PyPi] ( https://pypi.org/project/fealpy ) (📥 78 / month):
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```
328
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pip install fealpy
329
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```
@@ -335,19 +335,19 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
335
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```
336
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git clone https://github.com/deepmodeling/Uni-Fold
337
337
```
338
- - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/unifold ) (📥 610 · ⏱️ 08.01.2024):
338
+ - [ Docker Hub] ( https://hub.docker.com/r/dptechnology/unifold ) (📥 620 · ⏱️ 08.01.2024):
339
339
```
340
340
docker pull dptechnology/unifold
341
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```
342
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</details >
343
- <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpti " >dpti</a ></b > (🥉8 · ⭐ 19 · 📉 ) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
343
+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/dpti " >dpti</a ></b > (🥉8 · ⭐ 19) - 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 ) (👨💻 16 · 🔀 20 · ⏱️ 13.04.2024):
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```
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git clone https://github.com/deepmodeling/dpti
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```
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- - [ PyPi] ( https://pypi.org/project/dpti ) (📥 16 / month):
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+ - [ PyPi] ( https://pypi.org/project/dpti ) (📥 15 / month):
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```
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pip install dpti
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```
@@ -360,6 +360,18 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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git clone https://github.com/deepmodeling/blog
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```
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</details >
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+ <details ><summary ><b ><a href =" https://github.com/deepmodeling/fpop " >fpop</a ></b > (🥉8 · ⭐ 1 · 📈) - <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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+ - [ GitHub] ( https://github.com/deepmodeling/fpop ) (👨💻 3 · 🔀 8 · 📦 5 · ⏱️ 28.02.2024):
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+
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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 ) (📥 1K / 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/community " >community</a ></b > (🥉7 · ⭐ 77) - DeepModeling community content. <code >Unlicensed</code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/community ) (👨💻 15 · 🔀 18 · ⏱️ 29.03.2024):
@@ -368,7 +380,7 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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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/tbplas " >tbplas</a ></b > (🥉7 · ⭐ 5 · 🐣) - 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 > (🥉7 · ⭐ 6 · 🐣) - 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 · 🔀 3 · ⏱️ 17.01.2024):
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@@ -384,18 +396,6 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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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/fpop " >fpop</a ></b > (🥉7 · ⭐ 1) - <code ><a href =" http://bit.ly/37RvQcA " >LGPL-3.0</a ></code ></summary >
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-
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- - [ GitHub] ( https://github.com/deepmodeling/fpop ) (👨💻 3 · 🔀 8 · 📦 5 · ⏱️ 28.02.2024):
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-
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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 ) (📥 920 / 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/AI4Science101 " >AI4Science101</a ></b > (🥉6 · ⭐ 82 · 💤) - AI for Science. <code >Unlicensed</code ></summary >
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- [ GitHub] ( https://github.com/deepmodeling/AI4Science101 ) (👨💻 5 · 🔀 13 · ⏱️ 04.09.2022):
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