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Merge pull request #80 from deepmodeling/update/2025.01.30
Best-of update: 2025.01.30
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README.md

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@@ -51,15 +51,15 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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```
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git clone https://github.com/deepmodeling/deepmd-kit
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```
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- [PyPi](https://pypi.org/project/deepmd-kit) (📥 6.8K / month):
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- [PyPi](https://pypi.org/project/deepmd-kit) (📥 6.1K / 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) (📥 1.4M · ⏱️ 24.12.2024):
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- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 1.5M · ⏱️ 24.12.2024):
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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) (📥 25 / month):
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- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 29 / month):
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```
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npm install deepmd-kit
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```
@@ -70,12 +70,12 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/abacus-develop">ABACUS</a></b> (🥇26 · ⭐ 180) - 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 · 🔀 140 · 📋 2.1K - 5% open · ⏱️ 23.01.2025):
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- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 140 · 📋 2.1K - 5% open · ⏱️ 30.01.2025):
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```
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git clone https://github.com/deepmodeling/abacus-develop
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```
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- [Conda](https://anaconda.org/conda-forge/abacus) (📥 280K · ⏱️ 27.12.2024):
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- [Conda](https://anaconda.org/conda-forge/abacus) (📥 300K · ⏱️ 27.12.2024):
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```
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conda install -c conda-forge abacus
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```
@@ -87,7 +87,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 980 / month):
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- [PyPi](https://pypi.org/project/dpgen) (📥 820 / month):
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```
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pip install dpgen
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```
@@ -96,18 +96,18 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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conda install -c conda-forge dpgen
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/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>
99+
<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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- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 62 · 🔀 130 · 📦 140 · 📋 110 - 19% open · ⏱️ 21.01.2025):
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```
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git clone https://github.com/deepmodeling/dpdata
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```
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- [PyPi](https://pypi.org/project/dpdata) (📥 18K / month):
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- [PyPi](https://pypi.org/project/dpdata) (📥 15K / 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) (📥 87K · ⏱️ 22.01.2025):
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- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 88K · ⏱️ 22.01.2025):
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```
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conda install -c conda-forge dpdata
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```
@@ -118,48 +118,48 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/dpdispatcher">dpdispatcher</a></b> (🥈22 · ⭐ 48) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 53 · 📦 55 · 📋 81 - 22% open · ⏱️ 14.01.2025):
121+
- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 53 · 📦 55 · 📋 81 - 22% open · ⏱️ 28.01.2025):
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```
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git clone https://github.com/deepmodeling/dpdispatcher
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```
126-
- [PyPi](https://pypi.org/project/dpdispatcher) (📥 3.6K / month):
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- [PyPi](https://pypi.org/project/dpdispatcher) (📥 3.3K / 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) (📥 20K · ⏱️ 30.12.2024):
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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) (📥 120K · ⏱️ 30.08.2024):
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- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 120K · ⏱️ 30.01.2025):
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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> (🥈21 · ⭐ 76) - 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> (🥈21 · ⭐ 77) - 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 · 🔀 39 · 📦 3 · 📋 130 - 4% open · ⏱️ 17.01.2025):
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- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 18 · 🔀 39 · 📦 3 · 📋 130 - 4% open · ⏱️ 26.01.2025):
142142

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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) (📥 8.6K / month):
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- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 10K / 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) (📥 490K · ⏱️ 06.01.2025):
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- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 510K · ⏱️ 06.01.2025):
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```
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conda install -c conda-forge reacnetgenerator
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/dargs">dargs</a></b> (🥈19 · ⭐ 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 · 📋 9 - 22% open · ⏱️ 14.01.2025):
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- [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 7 · 🔀 3 · 📦 130 · 📋 9 - 22% open · ⏱️ 28.01.2025):
158158

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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) (📥 33K / month):
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- [PyPi](https://pypi.org/project/dargs) (📥 25K / month):
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```
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pip install dargs
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```
@@ -168,7 +168,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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/dflow">dflow</a></b> (🥈18 · ⭐ 66) - 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>
171+
<details><summary><b><a href="https://github.com/deepmodeling/dflow">dflow</a></b> (🥈18 · ⭐ 67) - 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>
172172

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- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 22 · 🔀 26 · 📋 36 - 38% open · ⏱️ 15.01.2025):
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@@ -203,7 +203,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 370 / month):
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- [PyPi](https://pypi.org/project/dpgen2) (📥 340 / month):
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```
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pip install dpgen2
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```
@@ -214,43 +214,43 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/APEX">APEX</a></b> (🥈16 · ⭐ 26) - 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) (👨‍💻 7 · 🔀 18 · 📦 4 · 📋 9 - 11% open · ⏱️ 09.01.2025):
217+
- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 19 · 📦 4 · 📋 9 - 11% open · ⏱️ 09.01.2025):
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```
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git clone https://github.com/deepmodeling/APEX
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```
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- [PyPi](https://pypi.org/project/apex-flow) (📥 1.7K / month):
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- [PyPi](https://pypi.org/project/apex-flow) (📥 1.6K / 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/dpgui">DP-GUI</a></b> (🥈16 · ⭐ 7 · 📈) - A web-based GUI for user inputs. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
227+
<details><summary><b><a href="https://github.com/deepmodeling/dpgui">DP-GUI</a></b> (🥈16 · ⭐ 7) - A web-based GUI for user inputs. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 10 · ⏱️ 30.12.2024):
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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) (📥 15K / month):
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- [PyPi](https://pypi.org/project/dpgui) (📥 12K / 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/DeePTB">DeePTB</a></b> (🥈15 · ⭐ 59) - 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>
239+
<details><summary><b><a href="https://github.com/deepmodeling/DeePTB">DeePTB</a></b> (🥈15 · ⭐ 60) - 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 · 🔀 16 · 📦 2 · 📋 38 - 23% open · ⏱️ 01.01.2025):
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```
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```
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- [PyPi](https://pypi.org/project/dptb) (📥 320 / month):
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- [PyPi](https://pypi.org/project/dptb) (📥 300 / 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/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 330) - Differentiable Finite Element Method with JAX. <code><a href="http://bit.ly/2M0xdwT">GPL-3.0</a></code></summary>
251+
<details><summary><b><a href="https://github.com/deepmodeling/jax-fem">JAX-FEM</a></b> (🥈14 · ⭐ 340) - 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) (👨‍💻 9 · 🔀 48 · 📦 3 · 📋 44 - 59% open · ⏱️ 13.12.2024):
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- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 9 · 🔀 50 · 📦 3 · 📋 45 - 57% open · ⏱️ 13.12.2024):
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```
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git clone https://github.com/deepmodeling/jax-fem
@@ -260,14 +260,14 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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pip install jax-fem
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈13 · ⭐ 160 · 💤) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
263+
<details><summary><b><a href="https://github.com/deepmodeling/DMFF">DMFF</a></b> (🥈13 · ⭐ 170 · 💤) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 14 · 🔀 45 · 📋 27 - 40% open · ⏱️ 12.01.2024):
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```
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git clone https://github.com/deepmodeling/DMFF
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```
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- [Conda](https://anaconda.org/conda-forge/dmff) (📥 1.4K · ⏱️ 06.01.2024):
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- [Conda](https://anaconda.org/conda-forge/dmff) (📥 1.5K · ⏱️ 06.01.2024):
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```
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conda install -c conda-forge dmff
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```
@@ -279,7 +279,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 600 / month):
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- [PyPi](https://pypi.org/project/rid-kit) (📥 590 / month):
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```
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pip install rid-kit
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```
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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) (📥 3.1K / month):
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- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.7K / month):
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```
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pip install deepmodeling_sphinx
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```
@@ -311,19 +311,19 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 150 / month):
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- [PyPi](https://pypi.org/project/dpti) (📥 140 / month):
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```
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pip install dpti
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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> (🥉10 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
319+
<details><summary><b><a href="https://github.com/deepmodeling/args">args</a></b> (🥉10 · ⭐ 2) - DeepModeling dargs arguments generation. <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 30.12.2024):
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```
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git clone https://github.com/deepmodeling/args
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```
326-
- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 150 / month):
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- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 130 / month):
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```
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npm install @deepmodeling/args
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```
@@ -346,20 +346,28 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/AIS-Square">AIS-Square</a></b> (🥉8 · ⭐ 13) - <code><a href="http://bit.ly/37RvQcA">LGPL-3.0</a></code></summary>
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- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 21.01.2025):
349+
- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 24.01.2025):
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```
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git clone https://github.com/deepmodeling/AIS-Square
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```
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</details>
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<details><summary><b><a href="https://github.com/deepmodeling/DeePDih">DeePDih</a></b> (🥉8 · ⭐ 5 · 💤) - Deep Potential driven molecular dihedral scan toolkit. <code><a href="http://bit.ly/34MBwT8">MIT</a></code></summary>
356+
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- [GitHub](https://github.com/deepmodeling/DeePDih) (🔀 3 · 📥 3 · ⏱️ 19.04.2024):
358+
359+
```
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git clone https://github.com/deepmodeling/DeePDih
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```
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</details>
355363
<details><summary><b><a href="https://github.com/deepmodeling/fealpy">fealpy</a></b> (🥉8 · ⭐ 5 · 💤) - Finite Element Analysis Library in Python. <code>Unlicensed</code></summary>
356364

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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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```
362-
- [PyPi](https://pypi.org/project/fealpy) (📥 740 / month):
370+
- [PyPi](https://pypi.org/project/fealpy) (📥 500 / month):
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```
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pip install fealpy
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```
@@ -371,7 +379,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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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) (📥 890 / month):
382+
- [PyPi](https://pypi.org/project/fpop) (📥 680 / month):
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```
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pip install fpop
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```
@@ -388,14 +396,6 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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docker pull dptechnology/unifold
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```
390398
</details>
391-
<details><summary><b><a href="https://github.com/deepmodeling/DeePDih">DeePDih</a></b> (🥉7 · ⭐ 5 · 💤) - Deep Potential driven molecular dihedral scan toolkit. <code><a href="http://bit.ly/34MBwT8">MIT</a></code></summary>
392-
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- [GitHub](https://github.com/deepmodeling/DeePDih) (🔀 3 · 📥 2 · ⏱️ 19.04.2024):
394-
395-
```
396-
git clone https://github.com/deepmodeling/DeePDih
397-
```
398-
</details>
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<details><summary><b><a href="https://github.com/deepmodeling/community">community</a></b> (🥉6 · ⭐ 85) - DeepModeling community content. <code>Unlicensed</code></summary>
400400

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- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 17 · 🔀 21 · ⏱️ 26.09.2024):
@@ -412,6 +412,14 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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git clone https://github.com/deepmodeling/tbplas
413413
```
414414
</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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- [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/docs
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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 · ⭐ 87 · 💤) - AI for Science. <code>Unlicensed</code></summary>
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- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 14 · ⏱️ 04.09.2022):
@@ -428,14 +436,6 @@ This curated list contains 38 awesome open-source projects with a total of 3.8K
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git clone https://github.com/deepmodeling/tutorials
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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> (🥉5 · ⭐ 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/docs) (👨‍💻 8 · 🔀 7 · ⏱️ 28.10.2024):
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```
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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/DeepH-pack">DeepH-pack</a></b> (🥉4 · ⭐ 12 · 💤) - 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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- [GitHub](https://github.com/deepmodeling/DeepH-pack) (👨‍💻 6 · 🔀 6 · 📋 6 - 66% open · ⏱️ 28.12.2023):

history/2025-01-30_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/DeePDih">DeePDih</a></b> (🥉8 · ⭐ 5 · 💤) - Deep Potential driven molecular dihedral scan toolkit. <code><a href="http://bit.ly/34MBwT8">MIT</a></code>
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- <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>
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