diff --git a/README.md b/README.md index 11e0188..5105177 100644 --- a/README.md +++ b/README.md @@ -44,14 +44,14 @@ This curated list contains 38 awesome open-source projects with a total of 4K st Back to top -
DeePMD-kit (🥇28 · ⭐ 1.6K) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 +
DeePMD-kit (🥇27 · ⭐ 1.6K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 75 · 🔀 520 · 📥 51K · 📦 32 · 📋 890 - 9% open · ⏱️ 02.03.2025): +- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 75 · 🔀 520 · 📥 51K · 📦 33 · 📋 890 - 9% open · ⏱️ 02.03.2025): ``` git clone https://github.com/deepmodeling/deepmd-kit ``` -- [PyPi](https://pypi.org/project/deepmd-kit) (📥 6.9K / month): +- [PyPi](https://pypi.org/project/deepmd-kit) (📥 5.2K / month): ``` pip install deepmd-kit ``` @@ -59,7 +59,7 @@ This curated list contains 38 awesome open-source projects with a total of 4K st ``` conda install -c conda-forge deepmd-kit ``` -- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 36 / month): +- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 32 / month): ``` npm install deepmd-kit ``` @@ -68,46 +68,26 @@ This curated list contains 38 awesome open-source projects with a total of 4K st docker pull deepmodeling/deepmd-kit ```
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dpdata (🥇24 · ⭐ 210) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 - -- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 63 · 🔀 130 · 📦 140 · 📋 110 - 18% open · ⏱️ 20.03.2025): - - ``` - git clone https://github.com/deepmodeling/dpdata - ``` -- [PyPi](https://pypi.org/project/dpdata) (📥 13K / month): - ``` - pip install dpdata - ``` -- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 97K · ⏱️ 22.04.2025): - ``` - conda install -c conda-forge dpdata - ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 640 · ⏱️ 02.06.2023): - ``` - docker pull dptechnology/dpdata - ``` -
ABACUS (🥇24 · ⭐ 190) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.2K - 4% open · ⏱️ 30.04.2025): +- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.3K - 5% open · ⏱️ 13.05.2025): ``` git clone https://github.com/deepmodeling/abacus-develop ``` -- [Conda](https://anaconda.org/conda-forge/abacus) (📥 390K · ⏱️ 22.04.2025): +- [Conda](https://anaconda.org/conda-forge/abacus) (📥 400K · ⏱️ 22.04.2025): ``` conda install -c conda-forge abacus ```
DP-GEN (🥇23 · ⭐ 340) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 69 · 🔀 170 · 📥 1.9K · 📦 8 · 📋 320 - 14% open · ⏱️ 21.02.2025): +- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 69 · 🔀 170 · 📥 1.9K · 📦 8 · 📋 320 - 13% open · ⏱️ 21.02.2025): ``` git clone https://github.com/deepmodeling/dpgen ``` -- [PyPi](https://pypi.org/project/dpgen) (📥 1.2K / month): +- [PyPi](https://pypi.org/project/dpgen) (📥 830 / month): ``` pip install dpgen ``` @@ -116,14 +96,34 @@ This curated list contains 38 awesome open-source projects with a total of 4K st conda install -c conda-forge dpgen ```
+
dpdata (🥇23 · ⭐ 210 · 📉) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 + +- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 63 · 🔀 130 · 📦 140 · 📋 110 - 19% open · ⏱️ 20.03.2025): + + ``` + git clone https://github.com/deepmodeling/dpdata + ``` +- [PyPi](https://pypi.org/project/dpdata) (📥 9.4K / month): + ``` + pip install dpdata + ``` +- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 98K · ⏱️ 22.04.2025): + ``` + conda install -c conda-forge dpdata + ``` +- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 640 · ⏱️ 02.06.2023): + ``` + docker pull dptechnology/dpdata + ``` +
dpdispatcher (🥈21 · ⭐ 51) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 54 · 📦 60 · 📋 81 - 20% open · ⏱️ 25.04.2025): +- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 54 · 📦 62 · 📋 83 - 22% open · ⏱️ 25.04.2025): ``` git clone https://github.com/deepmodeling/dpdispatcher ``` -- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.9K / month): +- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.1K / month): ``` pip install dpdispatcher ``` @@ -143,18 +143,18 @@ This curated list contains 38 awesome open-source projects with a total of 4K st ``` git clone https://github.com/deepmodeling/reacnetgenerator ``` -- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 6K / month): +- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 4.1K / month): ``` pip install reacnetgenerator ``` -- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 580K · ⏱️ 22.04.2025): +- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 590K · ⏱️ 22.04.2025): ``` conda install -c conda-forge reacnetgenerator ```
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dflow (🥈19 · ⭐ 70 · 📈) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 +
dflow (🥈19 · ⭐ 70) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 22 · 🔀 28 · 📋 36 - 38% open · ⏱️ 30.04.2025): +- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 22 · 🔀 28 · 📋 36 - 38% open · ⏱️ 06.05.2025): ``` git clone https://github.com/deepmodeling/dflow @@ -167,11 +167,23 @@ This curated list contains 38 awesome open-source projects with a total of 4K st ``` conda install -c conda-forge dflow ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 11K · ⏱️ 30.04.2025): +- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 12K · ⏱️ 06.05.2025): ``` docker pull dptechnology/dflow ```
+
DeePTB (🥈17 · ⭐ 75 · 📈) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 + +- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 11 · 🔀 18 · 📦 3 · 📋 45 - 33% open · ⏱️ 08.05.2025): + + ``` + git clone https://github.com/deepmodeling/DeePTB + ``` +- [PyPi](https://pypi.org/project/dptb) (📥 490 / month): + ``` + pip install dptb + ``` +
dargs (🥈17 · ⭐ 6) - Argument processing for the deep modeling project. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 7 · 🔀 3 · 📦 140 · 📋 9 - 22% open · ⏱️ 28.01.2025): @@ -179,31 +191,31 @@ This curated list contains 38 awesome open-source projects with a total of 4K st ``` git clone https://github.com/deepmodeling/dargs ``` -- [PyPi](https://pypi.org/project/dargs) (📥 19K / month): +- [PyPi](https://pypi.org/project/dargs) (📥 16K / month): ``` pip install dargs ``` -- [Conda](https://anaconda.org/conda-forge/dargs) (📥 44K · ⏱️ 22.04.2025): +- [Conda](https://anaconda.org/conda-forge/dargs) (📥 45K · ⏱️ 22.04.2025): ``` conda install -c conda-forge dargs ```
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DeepFlame (🥈16 · ⭐ 170 · 📈) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 +
DeepFlame (🥈16 · ⭐ 170) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 26 · 🔀 68 · 📋 49 - 40% open · ⏱️ 29.04.2025): +- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 27 · 🔀 68 · 📋 49 - 40% open · ⏱️ 11.05.2025): ``` git clone https://github.com/deepmodeling/deepflame-dev ```
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DPGEN2 (🥈16 · ⭐ 38) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 +
DPGEN2 (🥈16 · ⭐ 39) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 15 · 🔀 31 · 📦 6 · 📋 35 - 34% open · ⏱️ 29.04.2025): ``` git clone https://github.com/deepmodeling/dpgen2 ``` -- [PyPi](https://pypi.org/project/dpgen2) (📥 300 / month): +- [PyPi](https://pypi.org/project/dpgen2) (📥 170 / month): ``` pip install dpgen2 ``` @@ -212,38 +224,26 @@ This curated list contains 38 awesome open-source projects with a total of 4K st docker pull dptechnology/dpgen2 ```
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DeePTB (🥈15 · ⭐ 75) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0 - -- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 11 · 🔀 18 · 📦 2 · 📋 45 - 33% open · ⏱️ 26.04.2025): - - ``` - git clone https://github.com/deepmodeling/DeePTB - ``` -- [PyPi](https://pypi.org/project/dptb) (📥 380 / month): - ``` - pip install dptb - ``` -
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APEX (🥈15 · ⭐ 33) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 +
APEX (🥈16 · ⭐ 33 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 20 · 📦 4 · 📋 9 - 11% open · ⏱️ 10.04.2025): +- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 21 · 📦 4 · 📋 9 - 11% open · ⏱️ 10.04.2025): ``` git clone https://github.com/deepmodeling/APEX ``` -- [PyPi](https://pypi.org/project/apex-flow) (📥 1.6K / month): +- [PyPi](https://pypi.org/project/apex-flow) (📥 1.2K / month): ``` pip install apex-flow ```
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JAX-FEM (🥈14 · ⭐ 380) - Differentiable Finite Element Method with JAX. GPL-3.0 +
JAX-FEM (🥈15 · ⭐ 390 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 61 · 📦 3 · 📋 48 - 56% open · ⏱️ 15.04.2025): +- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 64 · 📦 3 · 📋 48 - 56% open · ⏱️ 05.05.2025): ``` git clone https://github.com/deepmodeling/jax-fem ``` -- [PyPi](https://pypi.org/project/jax-fem) (📥 420 / month): +- [PyPi](https://pypi.org/project/jax-fem) (📥 490 / month): ``` pip install jax-fem ``` @@ -255,33 +255,33 @@ This curated list contains 38 awesome open-source projects with a total of 4K st ``` git clone https://github.com/deepmodeling/DMFF ``` -- [Conda](https://anaconda.org/conda-forge/dmff) (📥 1.9K · ⏱️ 22.04.2025): +- [Conda](https://anaconda.org/conda-forge/dmff) (📥 2K · ⏱️ 22.04.2025): ``` conda install -c conda-forge dmff ```
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DP-GUI (🥈14 · ⭐ 8 · 📉) - A web-based GUI for user inputs. LGPL-3.0 +
rid-kit (🥈13 · ⭐ 47) - Reinforced dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 12 · ⏱️ 13.03.2025): +- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 23 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025): ``` - git clone https://github.com/deepmodeling/dpgui + git clone https://github.com/deepmodeling/rid-kit ``` -- [PyPi](https://pypi.org/project/dpgui) (📥 9.3K / month): +- [PyPi](https://pypi.org/project/rid-kit) (📥 380 / month): ``` - pip install dpgui + pip install rid-kit ```
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rid-kit (🥉13 · ⭐ 47) - Reinforced dynamics. LGPL-3.0 +
DP-GUI (🥈13 · ⭐ 8 · 📉) - A web-based GUI for user inputs. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 23 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025): +- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 12 · ⏱️ 13.03.2025): ``` - git clone https://github.com/deepmodeling/rid-kit + git clone https://github.com/deepmodeling/dpgui ``` -- [PyPi](https://pypi.org/project/rid-kit) (📥 570 / month): +- [PyPi](https://pypi.org/project/dpgui) (📥 8.1K / month): ``` - pip install rid-kit + pip install dpgui ```
GPUMD (🥉12 · ⭐ 7) - Graphics Processing Units Molecular Dynamics. GPL-3.0 @@ -292,14 +292,26 @@ This curated list contains 38 awesome open-source projects with a total of 4K st git clone https://github.com/deepmodeling/GPUMD ```
+
fealpy (🥉12 · ⭐ 6 · 📈) - Finite Element Analysis Library in Python. Unlicensed + +- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025): + + ``` + git clone https://github.com/deepmodeling/fealpy + ``` +- [PyPi](https://pypi.org/project/fealpy) (📥 850 / month): + ``` + pip install fealpy + ``` +
deepmodeling_sphinx (🥉12 · ⭐ 3) - Sphinx extension for DeepModeling projects. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 7 · ⏱️ 22.03.2025): +- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 6 · ⏱️ 22.03.2025): ``` git clone https://github.com/deepmodeling/deepmodeling_sphinx ``` -- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.7K / month): +- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.4K / month): ``` pip install deepmodeling_sphinx ``` @@ -331,7 +343,7 @@ This curated list contains 38 awesome open-source projects with a total of 4K st ``` git clone https://github.com/deepmodeling/dpti ``` -- [PyPi](https://pypi.org/project/dpti) (📥 140 / month): +- [PyPi](https://pypi.org/project/dpti) (📥 83 / month): ``` pip install dpti ``` @@ -343,45 +355,41 @@ This curated list contains 38 awesome open-source projects with a total of 4K st ``` git clone https://github.com/deepmodeling/fpop ``` -- [PyPi](https://pypi.org/project/fpop) (📥 680 / month): +- [PyPi](https://pypi.org/project/fpop) (📥 520 / month): ``` pip install fpop ```
AIS-Square (🥉8 · ⭐ 13) - LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 25.04.2025): +- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 15.05.2025): ``` git clone https://github.com/deepmodeling/AIS-Square ```
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fealpy (🥉8 · ⭐ 6 · 💤) - Finite Element Analysis Library in Python. Unlicensed +
Blog (🥉8 · ⭐ 2 · 📈) - DeepModeling Blog. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 57 · 🔀 2 · ⏱️ 24.04.2024): +- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 10 · ⏱️ 15.05.2025): ``` - git clone https://github.com/deepmodeling/fealpy - ``` -- [PyPi](https://pypi.org/project/fealpy) (📥 880 / month): - ``` - pip install fealpy + git clone https://github.com/deepmodeling/blog ```
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tutorials (🥉7 · ⭐ 15) - Tutorials for DeepModeling projects. Unlicensed +
community (🥉7 · ⭐ 87) - DeepModeling community content. Unlicensed -- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 11 · 🔀 23 · ⏱️ 03.04.2025): +- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 18 · 🔀 23 · ⏱️ 06.05.2025): ``` - git clone https://github.com/deepmodeling/tutorials + git clone https://github.com/deepmodeling/community ```
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Blog (🥉7 · ⭐ 2) - DeepModeling Blog. LGPL-3.0 +
tutorials (🥉7 · ⭐ 15) - Tutorials for DeepModeling projects. Unlicensed -- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 9 · 🔀 8 · ⏱️ 08.04.2025): +- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 11 · 🔀 23 · ⏱️ 03.04.2025): ``` - git clone https://github.com/deepmodeling/blog + git clone https://github.com/deepmodeling/tutorials ```
Uni-Fold (🥉6 · ⭐ 92 · 💤) - Apache-2 @@ -396,15 +404,7 @@ This curated list contains 38 awesome open-source projects with a total of 4K st docker pull dptechnology/unifold ```
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community (🥉6 · ⭐ 87 · 💤) - DeepModeling community content. Unlicensed - -- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 17 · 🔀 21 · ⏱️ 26.09.2024): - - ``` - git clone https://github.com/deepmodeling/community - ``` -
-
tbplas (🥉6 · ⭐ 9 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). Unlicensed +
tbplas (🥉6 · ⭐ 10 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). Unlicensed - [GitHub](https://github.com/deepmodeling/tbplas) (👨‍💻 10 · 🔀 5 · ⏱️ 17.01.2024): @@ -436,7 +436,7 @@ This curated list contains 38 awesome open-source projects with a total of 4K st git clone https://github.com/deepmodeling/AI4Science101 ```
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DeepH-pack (🥉4 · ⭐ 13 · 💤) - Deep neural networks for density functional theory Hamiltonian. LGPL-3.0 +
DeepH-pack (🥉4 · ⭐ 12 · 💤) - Deep neural networks for density functional theory Hamiltonian. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/DeepH-pack) (👨‍💻 6 · 🔀 6 · 📋 6 - 66% open · ⏱️ 28.12.2023): @@ -460,7 +460,7 @@ This curated list contains 38 awesome open-source projects with a total of 4K st git clone https://github.com/deepmodeling/tutorials-cn ```
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LibRI (🥉2 · ⭐ 6 · 📉) - GPL-3.0 +
LibRI (🥉2 · ⭐ 6) - GPL-3.0 - [GitHub](https://github.com/deepmodeling/LibRI) (👨‍💻 3 · 🔀 1 · 📋 3 - 66% open · ⏱️ 10.01.2025): diff --git a/history/2025-05-15_changes.md b/history/2025-05-15_changes.md new file mode 100644 index 0000000..ed6fdf3 --- /dev/null +++ b/history/2025-05-15_changes.md @@ -0,0 +1,18 @@ +## 📈 Trending Up + +_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._ + +- DeePTB (🥈17 · ⭐ 75 · 📈) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 +- APEX (🥈16 · ⭐ 33 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 +- JAX-FEM (🥈15 · ⭐ 390 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0 +- fealpy (🥉12 · ⭐ 6 · 📈) - Finite Element Analysis Library in Python. Unlicensed +- Blog (🥉8 · ⭐ 2 · 📈) - DeepModeling Blog. LGPL-3.0 + +## 📉 Trending Down + +_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._ + +- DeePMD-kit (🥇27 · ⭐ 1.6K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 +- dpdata (🥇23 · ⭐ 210 · 📉) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 +- DP-GUI (🥈13 · ⭐ 8 · 📉) - A web-based GUI for user inputs. LGPL-3.0 + diff --git a/history/2025-05-15_projects.csv b/history/2025-05-15_projects.csv new file mode 100644 index 0000000..7688bd4 --- /dev/null +++ b/history/2025-05-15_projects.csv @@ -0,0 +1,39 @@ +,name,github_id,pypi_id,conda_id,npm_id,dockerhub_id,github_url,homepage,license,created_at,updated_at,last_commit_pushed_at,commit_count,recent_commit_count,fork_count,watchers_count,pr_count,open_issue_count,closed_issue_count,star_count,latest_stable_release_published_at,latest_stable_release_number,github_release_downloads,monthly_downloads,release_count,description,dependent_project_count,github_dependent_project_count,contributor_count,pypi_url,pypi_monthly_downloads,conda_url,conda_latest_release_published_at,conda_total_downloads,npm_url,npm_monthly_downloads,dockerhub_url,dockerhub_latest_release_published_at,dockerhub_stars,dockerhub_pulls,projectrank,show,category,projectrank_placing,trending +0,DeePMD-kit,deepmodeling/deepmd-kit,deepmd-kit,conda-forge/deepmd-kit,deepmd-kit,deepmodeling/deepmd-kit,https://github.com/deepmodeling/deepmd-kit,https://github.com/deepmodeling/deepmd-kit,LGPL-3.0,2017-12-12 15:23:44,2025-05-14 06:01:33.000000,2025-03-02 03:04:28,3180,5.0,524.0,45.0,2371.0,88.0,804.0,1646,2025-03-02 03:32:12,3.0.2,51433.0,43724.0,55.0,A deep learning package for many-body potential energy representation and molecular dynamics.,33.0,33.0,75.0,https://pypi.org/project/deepmd-kit,5190.0,https://anaconda.org/conda-forge/deepmd-kit,2025-04-22 14:57:13.030,1846535.0,https://www.npmjs.com/package/deepmd-kit,32.0,https://hub.docker.com/r/deepmodeling/deepmd-kit,2025-03-05 10:25:54.924708,1.0,3522.0,27,True,others,1.0,-1.0 +1,ABACUS,deepmodeling/abacus-develop,,conda-forge/abacus,,,https://github.com/deepmodeling/abacus-develop,https://github.com/deepmodeling/abacus-develop,LGPL-3.0,2021-02-01 04:04:52,2025-05-13 15:12:31.000000,2025-05-13 15:12:31,7249,164.0,140.0,10.0,3823.0,114.0,2145.0,193,2025-05-10 04:58:14,3.9.0.5,,18337.0,69.0,An electronic structure package based on either plane wave basis or numerical atomic orbitals.,,,127.0,,,https://anaconda.org/conda-forge/abacus,2025-04-22 14:58:45.321,403430.0,,,,,,,24,True,others,1.0, +2,DP-GEN,deepmodeling/dpgen,dpgen,conda-forge/dpgen,,,https://github.com/deepmodeling/dpgen,https://github.com/deepmodeling/dpgen,LGPL-3.0,2019-06-13 11:43:56,2025-05-13 09:41:13.000000,2025-02-21 06:05:03,2168,4.0,172.0,10.0,888.0,43.0,275.0,337,2025-02-21 06:06:07,0.13.1,1948.0,1536.0,20.0,The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field.,8.0,8.0,69.0,https://pypi.org/project/dpgen,826.0,https://anaconda.org/conda-forge/dpgen,2025-04-22 14:57:10.509,40188.0,,,,,,,23,True,others,1.0, +3,dpdata,deepmodeling/dpdata,dpdata,conda-forge/dpdata,,dptechnology/dpdata,https://github.com/deepmodeling/dpdata,https://github.com/deepmodeling/dpdata,LGPL-3.0,2019-04-12 13:24:23,2025-05-13 09:41:20.000000,2025-03-20 03:30:40,813,8.0,131.0,8.0,567.0,22.0,90.0,209,2025-03-20 03:31:32,0.2.24,,11100.0,40.0,A Python package for manipulating atomistic data of software in computational science.,139.0,139.0,63.0,https://pypi.org/project/dpdata,9374.0,https://anaconda.org/conda-forge/dpdata,2025-04-22 14:57:07.913,97944.0,,,https://hub.docker.com/r/dptechnology/dpdata,2023-06-02 09:30:14.674068,,645.0,23,True,others,1.0,-1.0 +4,dpdispatcher,deepmodeling/dpdispatcher,dpdispatcher,conda-forge/dpdispatcher,,dptechnology/dpdispatcher,https://github.com/deepmodeling/dpdispatcher,https://github.com/deepmodeling/dpdispatcher,LGPL-3.0,2020-12-08 05:14:37,2025-05-12 19:35:48.000000,2025-04-25 09:19:39,1104,1.0,54.0,5.0,409.0,19.0,64.0,51,2025-01-30 17:18:42,0.6.8,,5305.0,48.0,generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish.,62.0,62.0,46.0,https://pypi.org/project/dpdispatcher,2140.0,https://anaconda.org/conda-forge/dpdispatcher,2025-04-22 14:58:26.479,26398.0,,,https://hub.docker.com/r/dptechnology/dpdispatcher,2025-01-30 17:22:05.218053,,124114.0,21,True,others,2.0, +5,reacnetgenerator,deepmodeling/reacnetgenerator,reacnetgenerator,conda-forge/reacnetgenerator,,,https://github.com/deepmodeling/reacnetgenerator,https://github.com/deepmodeling/reacnetgenerator,LGPL-3.0,2018-04-06 15:07:56,2025-05-12 19:35:48.000000,2025-02-20 08:48:52,2523,1.0,40.0,7.0,2206.0,7.0,123.0,87,2025-01-05 07:30:15,1.6.15,,13943.0,100.0,an automatic reaction network generator for reactive molecular dynamics simulation.,3.0,3.0,18.0,https://pypi.org/project/reacnetgenerator,4081.0,https://anaconda.org/conda-forge/reacnetgenerator,2025-04-22 14:57:18.750,591737.0,,,,,,,19,True,others,2.0, +6,dflow,deepmodeling/dflow,dflow,conda-forge/dflow,,dptechnology/dflow,https://github.com/deepmodeling/dflow,https://github.com/deepmodeling/dflow,LGPL-3.0,2022-01-21 08:14:36,2025-05-06 10:20:21.712311,2025-05-06 10:17:47,2199,50.0,28.0,1.0,876.0,14.0,22.0,70,2025-05-06 10:18:10,1.8.115,,295.0,100.0,Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows)..,,,22.0,https://pypi.org/project/dflow,,https://anaconda.org/conda-forge/dflow,,,,,https://hub.docker.com/r/dptechnology/dflow,2025-05-06 10:20:21.712311,,11800.0,19,True,others,2.0, +7,DeePTB,deepmodeling/DeePTB,dptb,,,,https://github.com/deepmodeling/DeePTB,https://github.com/deepmodeling/DeePTB,LGPL-3.0,2023-07-11 03:19:42,2025-05-08 15:32:57.000000,2025-05-08 15:31:57,785,29.0,18.0,3.0,200.0,15.0,30.0,75,2025-05-07 14:02:40,2.2.0,,487.0,12.0,DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.,3.0,3.0,11.0,https://pypi.org/project/dptb,487.0,,,,,,,,,,17,True,others,2.0,2.0 +8,dargs,deepmodeling/dargs,dargs,conda-forge/dargs,,,https://github.com/deepmodeling/dargs,https://github.com/deepmodeling/dargs,LGPL-3.0,2020-09-19 22:20:28,2025-05-12 19:35:41.000000,2025-01-28 03:24:29,163,,3.0,5.0,81.0,2.0,7.0,6,2024-11-21 03:25:26,0.4.10,,16545.0,31.0,Argument processing for the deep modeling project.,140.0,140.0,7.0,https://pypi.org/project/dargs,15633.0,https://anaconda.org/conda-forge/dargs,2025-04-22 14:57:50.542,44719.0,,,,,,,17,True,others,2.0, +9,DeepFlame,deepmodeling/deepflame-dev,,,,,https://github.com/deepmodeling/deepflame-dev,https://github.com/deepmodeling/deepflame-dev,GPL-3.0,2022-06-12 10:25:12,2025-05-11 13:09:19.000000,2025-05-11 13:09:19,1146,5.0,68.0,8.0,503.0,20.0,29.0,170,2025-01-08 11:06:39,1.5,,,21.0,A deep learning empowered open-source platform for reacting flow simulations.,,,27.0,,,,,,,,,,,,16,True,others,2.0, +10,DPGEN2,deepmodeling/dpgen2,dpgen2,,,dptechnology/dpgen2,https://github.com/deepmodeling/dpgen2,https://github.com/deepmodeling/dpgen2,LGPL-3.0,2022-02-28 02:41:16,2025-04-29 08:54:30.939888,2025-04-29 08:52:57,333,5.0,31.0,7.0,249.0,12.0,23.0,39,2023-01-28 03:43:25,0.0.7,,264.0,7.0,2nd generation of the Deep Potential GENerator.,6.0,6.0,15.0,https://pypi.org/project/dpgen2,166.0,,,,,,https://hub.docker.com/r/dptechnology/dpgen2,2025-04-29 08:54:30.939888,,3853.0,16,True,others,2.0, +11,APEX,deepmodeling/APEX,apex-flow,,,,https://github.com/deepmodeling/APEX,https://github.com/deepmodeling/APEX,LGPL-3.0,2023-04-20 06:13:42,2025-05-07 07:41:26.000000,2025-04-10 13:16:14,621,9.0,21.0,7.0,88.0,1.0,8.0,33,2024-05-06 10:01:52,1.2.0,,1150.0,4.0,APEX: Alloy Properties EXplorer using simulations.,4.0,4.0,7.0,https://pypi.org/project/apex-flow,1150.0,,,,,,,,,,16,True,others,2.0,1.0 +12,JAX-FEM,deepmodeling/jax-fem,jax-fem,,,,https://github.com/deepmodeling/jax-fem,https://github.com/deepmodeling/jax-fem,GPL-3.0,2023-10-02 15:20:54,2025-05-05 05:33:54.000000,2025-05-05 05:33:51,212,3.0,64.0,12.0,7.0,27.0,21.0,388,,,,489.0,,Differentiable Finite Element Method with JAX.,3.0,3.0,10.0,https://pypi.org/project/jax-fem,489.0,,,,,,,,,,15,True,others,2.0,1.0 +13,DMFF,deepmodeling/DMFF,,conda-forge/dmff,,,https://github.com/deepmodeling/DMFF,https://github.com/deepmodeling/DMFF,LGPL-3.0,2022-02-14 01:35:50,2025-04-22 14:58:55.028000,2025-04-10 05:17:05,434,3.0,46.0,9.0,167.0,11.0,17.0,174,2023-11-09 14:32:37,1.0.0,,123.0,4.0,DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable..,,,14.0,,,https://anaconda.org/conda-forge/dmff,2025-04-22 14:58:55.028,1972.0,,,,,,,14,True,others,2.0, +14,rid-kit,deepmodeling/rid-kit,rid-kit,,,,https://github.com/deepmodeling/rid-kit,https://github.com/deepmodeling/rid-kit,LGPL-3.0,2021-02-02 02:44:00,2025-03-31 04:23:22.000000,2025-03-31 04:21:54,477,2.0,23.0,4.0,21.0,2.0,3.0,47,2024-05-14 03:25:35,0.6.4,148.0,383.0,5.0,Reinforced dynamics.,2.0,2.0,14.0,https://pypi.org/project/rid-kit,380.0,,,,,,,,,,13,True,others,2.0, +15,DP-GUI,deepmodeling/dpgui,dpgui,,,,https://github.com/deepmodeling/dpgui,https://github.com/deepmodeling/dpgui,LGPL-3.0,2021-07-21 18:48:23,2025-05-15 10:40:54.000000,2025-03-13 03:19:56,324,3.0,5.0,6.0,521.0,,1.0,8,2024-11-17 07:05:49,1.0.1.post0,,8097.0,5.0,A web-based GUI for user inputs.,12.0,12.0,4.0,https://pypi.org/project/dpgui,8097.0,,,,,,,,,,13,True,others,2.0,-1.0 +16,GPUMD,deepmodeling/GPUMD,,,,,https://github.com/deepmodeling/GPUMD,https://github.com/deepmodeling/GPUMD,GPL-3.0,2024-06-18 05:40:21,2025-04-27 16:49:04.000000,2025-04-27 16:43:21,5347,532.0,,,,,,7,,,,,,Graphics Processing Units Molecular Dynamics.,,,47.0,,,,,,,,,,,,12,True,others,3.0, +17,fealpy,deepmodeling/fealpy,fealpy,,,,https://github.com/deepmodeling/fealpy,https://github.com/deepmodeling/fealpy,,2023-04-10 03:58:57,2025-05-09 01:36:48.000000,2025-04-28 09:12:41,9611,148.0,2.0,1.0,1.0,,,6,,,,847.0,,Finite Element Analysis Library in Python.,,,69.0,https://pypi.org/project/fealpy,847.0,,,,,,,,,,12,True,others,3.0,4.0 +18,deepmodeling_sphinx,deepmodeling/deepmodeling_sphinx,deepmodeling_sphinx,,,,https://github.com/deepmodeling/deepmodeling_sphinx,https://github.com/deepmodeling/deepmodeling_sphinx,LGPL-3.0,2022-03-04 00:19:06,2025-05-12 19:35:34.000000,2025-03-22 17:20:16,77,1.0,6.0,5.0,70.0,,,3,2025-03-22 17:20:41,0.3.1,,1368.0,25.0,Sphinx extension for DeepModeling projects.,,,7.0,https://pypi.org/project/deepmodeling_sphinx,1368.0,,,,,,,,,,12,True,others,3.0, +19,args,deepmodeling/args,,,@deepmodeling/args,,https://github.com/deepmodeling/args,https://github.com/deepmodeling/args,LGPL-3.0,2021-12-27 03:27:24,2025-03-06 02:44:56.000000,2025-03-06 02:44:30,83,4.0,2.0,5.0,54.0,,,2,2025-03-06 02:44:56,0.1.1,,146.0,18.0,DeepModeling dargs arguments generation.,5.0,5.0,3.0,,,,,,https://www.npmjs.com/package/@deepmodeling/args,146.0,,,,,10,True,others,3.0, +20,DeePKS-kit,deepmodeling/deepks-kit,,,,,https://github.com/deepmodeling/deepks-kit,https://github.com/deepmodeling/deepks-kit,LGPL-3.0,2020-07-29 03:27:50,2025-04-28 21:22:59.000000,2025-04-28 21:22:58,385,1.0,36.0,13.0,47.0,11.0,17.0,107,,,,,,a package for developing machine learning-based chemically accurate energy and density functional models.,,,7.0,,,,,,,,,,,,9,True,others,3.0, +21,dpti,deepmodeling/dpti,dpti,,,,https://github.com/deepmodeling/dpti,https://github.com/deepmodeling/dpti,LGPL-3.0,2021-04-04 13:57:37,2025-05-12 19:36:08.000000,2025-03-15 19:50:12,432,3.0,19.0,6.0,80.0,9.0,1.0,27,,,,83.0,,A Python Package to Automate Thermodynamic Integration Calculations for Free Energy.,2.0,2.0,17.0,https://pypi.org/project/dpti,83.0,,,,,,,,,,9,True,others,3.0, +22,fpop,deepmodeling/fpop,fpop,,,,https://github.com/deepmodeling/fpop,https://github.com/deepmodeling/fpop,LGPL-3.0,2023-02-10 03:16:47,2024-07-01 09:11:36.000000,2024-07-01 09:11:36,42,,13.0,9.0,25.0,4.0,,3,,,,525.0,,,14.0,14.0,4.0,https://pypi.org/project/fpop,525.0,,,,,,,,,,9,True,others,3.0, +23,AIS-Square,deepmodeling/AIS-Square,,,,,https://github.com/deepmodeling/AIS-Square,https://github.com/deepmodeling/AIS-Square,LGPL-3.0,2022-09-13 09:52:30,2025-05-15 13:50:45.000000,2025-05-15 13:50:45,1026,166.0,8.0,8.0,210.0,5.0,1.0,13,,,,,,,,,8.0,,,,,,,,,,,,8,True,others,3.0, +24,Blog,deepmodeling/blog,,,,,https://github.com/deepmodeling/blog,https://github.com/deepmodeling/blog,LGPL-3.0,2021-06-10 23:11:55,2025-05-15 16:05:36.000000,2025-05-15 12:41:47,303,10.0,10.0,6.0,244.0,,,2,,,,,,DeepModeling Blog.,,,10.0,,,,,,,,,,,,8,True,others,3.0,1.0 +25,community,deepmodeling/community,,,,,https://github.com/deepmodeling/community,https://github.com/deepmodeling/community,,2021-05-06 04:50:02,2025-05-06 13:54:32.000000,2025-05-06 13:54:32,143,6.0,23.0,10.0,46.0,,2.0,87,,,,,,DeepModeling community content.,,,18.0,,,,,,,,,,,,7,True,others,3.0, +26,tutorials,deepmodeling/tutorials,,,,,https://github.com/deepmodeling/tutorials,https://github.com/deepmodeling/tutorials,,2022-03-07 06:19:19,2025-04-03 06:16:39.000000,2025-04-03 06:16:39,146,3.0,23.0,5.0,67.0,,3.0,15,,,,,,Tutorials for DeepModeling projects.,,,11.0,,,,,,,,,,,,7,True,others,3.0, +27,Uni-Fold,deepmodeling/Uni-Fold,,,,dptechnology/unifold,https://github.com/deepmodeling/Uni-Fold,https://github.com/deepmodeling/Uni-Fold,Apache-2.0,2021-12-07 14:40:37,2024-04-11 02:15:21.000000,2022-08-18 15:27:32,29,,19.0,5.0,2.0,,1.0,92,,,,20.0,,,,,3.0,,,,,,,,https://hub.docker.com/r/dptechnology/unifold,2024-01-08 06:24:09.367953,,833.0,6,True,others,3.0, +28,tbplas,deepmodeling/tbplas,,,,,https://github.com/deepmodeling/tbplas,https://github.com/deepmodeling/tbplas,,2024-02-29 03:21:24,2024-04-11 02:16:51.000000,2024-01-17 13:25:05,662,,5.0,9.0,2.0,3.0,,10,2024-03-01 09:33:35,1.6,,,1.0,Repository of TBPLaS (tight-binding package for large-scale simulation).,,,10.0,,,,,,,,,,,,6,True,others,3.0, +29,DeePDih,deepmodeling/DeePDih,,,,,https://github.com/deepmodeling/DeePDih,https://github.com/deepmodeling/DeePDih,MIT,2024-03-03 13:22:19,2024-12-21 09:53:32.000000,2024-04-19 07:37:47,61,,3.0,2.0,,,,6,2024-12-21 09:53:32,dpa-2-gfn2-xtb-tblite,4.0,0.0,1.0,Deep Potential driven molecular dihedral scan toolkit.,,,,,,,,,,,,,,,6,True,others,3.0, +30,docs,deepmodeling/docs,,,,,https://github.com/deepmodeling/docs,https://github.com/deepmodeling/docs,LGPL-3.0,2021-07-05 00:32:29,2024-10-28 21:42:38.000000,2024-10-28 21:42:38,28,,7.0,5.0,24.0,,,3,,,,,,The home page of DeepModeling documentation.,,,8.0,,,,,,,,,,,,6,True,others,3.0, +31,AI4Science101,deepmodeling/AI4Science101,,,,,https://github.com/deepmodeling/AI4Science101,https://github.com/deepmodeling/AI4Science101,,2022-06-19 02:26:48,2024-04-11 02:15:55.000000,2022-09-04 02:06:18,139,,14.0,9.0,29.0,,1.0,90,,,,,,AI for Science.,,,5.0,,,,,,,,,,,,5,True,others,3.0, +32,DeepH-pack,deepmodeling/DeepH-pack,,,,,https://github.com/deepmodeling/DeepH-pack,https://github.com/deepmodeling/DeepH-pack,LGPL-3.0,2022-07-19 08:07:24,2024-04-11 02:16:01.000000,2023-12-28 12:48:09,56,,6.0,2.0,2.0,4.0,2.0,12,,,,,,Deep neural networks for density functional theory Hamiltonian.,,,6.0,,,,,,,,,,,,4,True,others,3.0, +33,ADMP,deepmodeling/ADMP,,,,,https://github.com/deepmodeling/ADMP,https://github.com/deepmodeling/ADMP,,2021-12-26 07:22:47,2024-04-11 02:15:25.000000,2022-02-15 02:13:59,120,,3.0,1.0,6.0,,,4,,,,,,Automatic Differentiation Multipole Moment Molecular Forcefield.,,,7.0,,,,,,,,,,,,4,True,others,3.0, +34,tutorials-cn,deepmodeling/tutorials-cn,,,,,https://github.com/deepmodeling/tutorials-cn,https://github.com/deepmodeling/tutorials-cn,LGPL-2.1,2022-03-30 07:39:32,2024-04-11 02:15:41.000000,2022-12-29 11:58:55,9,,7.0,5.0,13.0,,,4,,,,,,,,,4.0,,,,,,,,,,,,4,True,others,3.0, +35,LibRI,deepmodeling/LibRI,,,,,https://github.com/deepmodeling/LibRI,https://github.com/deepmodeling/LibRI,GPL-3.0,2023-04-19 02:10:20,2025-02-18 05:21:27.000000,2025-01-10 16:30:29,127,,1.0,2.0,1.0,2.0,1.0,6,,,,,,,,,3.0,,,,,,,,,,,,2,True,others,3.0, +36,openfinite,deepmodeling/openfinite,,,,,https://github.com/deepmodeling/openfinite,https://github.com/deepmodeling/openfinite,LGPL-3.0,2021-10-10 08:56:48,2024-04-11 02:15:14.000000,2021-10-06 08:13:39,13,,1.0,1.0,1.0,,,1,,,,,,,,,2.0,,,,,,,,,,,,0,True,others,, +37,dflow-op-cutter,deepmodeling/dflow-op-cutter,,,,,https://github.com/deepmodeling/dflow-op-cutter,https://github.com/deepmodeling/dflow-op-cutter,,2022-06-24 01:31:42,2024-04-11 02:15:58.000000,2022-07-06 09:54:08,4,,2.0,4.0,1.0,,1.0,1,,,,,,,,,2.0,,,,,,,,,,,,-1,True,others,3.0, diff --git a/latest-changes.md b/latest-changes.md index 81b7641..ed6fdf3 100644 --- a/latest-changes.md +++ b/latest-changes.md @@ -2,13 +2,17 @@ _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._ -- dflow (🥈19 · ⭐ 70 · 📈) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 -- DeepFlame (🥈16 · ⭐ 170 · 📈) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 +- DeePTB (🥈17 · ⭐ 75 · 📈) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 +- APEX (🥈16 · ⭐ 33 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 +- JAX-FEM (🥈15 · ⭐ 390 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0 +- fealpy (🥉12 · ⭐ 6 · 📈) - Finite Element Analysis Library in Python. Unlicensed +- Blog (🥉8 · ⭐ 2 · 📈) - DeepModeling Blog. LGPL-3.0 ## 📉 Trending Down _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._ -- DP-GUI (🥈14 · ⭐ 8 · 📉) - A web-based GUI for user inputs. LGPL-3.0 -- LibRI (🥉2 · ⭐ 6 · 📉) - GPL-3.0 +- DeePMD-kit (🥇27 · ⭐ 1.6K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 +- dpdata (🥇23 · ⭐ 210 · 📉) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 +- DP-GUI (🥈13 · ⭐ 8 · 📉) - A web-based GUI for user inputs. LGPL-3.0