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Update best-of list for version 2024.05.30
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README.md

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@@ -46,16 +46,16 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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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>
91+
<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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git clone https://github.com/deepmodeling/abacus-develop
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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>
103+
<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>
139+
<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
@@ -167,19 +167,19 @@ This curated list contains 36 awesome open-source projects with a total of 3.1K
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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>
175+
<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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```
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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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```
@@ -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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```
@@ -215,35 +215,19 @@ 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/rid-kit
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```
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- [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>
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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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git clone https://github.com/deepmodeling/dpgen2
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```
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- [PyPi](https://pypi.org/project/dpgen2) (📥 69 / 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) (📥 2.4K · ⏱️ 17.05.2024):
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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/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>
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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
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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) (📥 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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```
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- [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>
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<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>
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- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 13 · 🔀 22 · 📦 2 · 📋 30 - 40% open · ⏱️ 29.05.2024):
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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) (📥 52 / 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) (📥 2.4K · ⏱️ 29.05.2024):
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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/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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```
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git clone https://github.com/deepmodeling/jax-fem
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```
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- [PyPi](https://pypi.org/project/jax-fem) (📥 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
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```
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```
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git clone https://github.com/deepmodeling/DMFF
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```
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- [Conda](https://anaconda.org/conda-forge/dmff) (📥 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
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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
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```
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- [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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```
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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/args">args</a></b> (🥉12 · ⭐ 2) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 11.04.2024):
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- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 28.05.2024):
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```
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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
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```
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</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>
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- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 57 · 🔀 2 · ⏱️ 24.04.2024):
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```
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git clone https://github.com/deepmodeling/fealpy
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```
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- [PyPi](https://pypi.org/project/fealpy) (📥 130 / month):
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- [PyPi](https://pypi.org/project/fealpy) (📥 78 / month):
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```
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pip install fealpy
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```
@@ -335,19 +335,19 @@ 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/Uni-Fold
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```
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):
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```
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docker pull dptechnology/unifold
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```
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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):
350+
- [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>
363+
<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>
364+
365+
- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 3 · 🔀 8 · 📦 5 · ⏱️ 28.02.2024):
366+
367+
```
368+
git clone https://github.com/deepmodeling/fpop
369+
```
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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>
383+
<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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- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 3 · 🔀 8 · 📦 5 · ⏱️ 28.02.2024):
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```
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git clone https://github.com/deepmodeling/fpop
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```
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- [PyPi](https://pypi.org/project/fpop) (📥 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):

history/2024-05-30_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._
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- <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>
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## 📉 Trending Down
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_Projects that have a lower project-quality score compared to the last update. There might be a variety of reasons such as decreased downloads or code activity._
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- <b><a href="https://github.com/deepmodeling/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>
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