From 7289783477fc913f060438d7b55791bf124bc6cf Mon Sep 17 00:00:00 2001 From: njzjz <9496702+njzjz@users.noreply.github.com> Date: Thu, 2 Jul 2026 18:32:38 +0000 Subject: [PATCH] Update best-of list for version 2026.07.02 --- README.md | 282 ++++++++++++++++---------------- history/2026-07-02_changes.md | 20 +++ history/2026-07-02_projects.csv | 39 +++++ latest-changes.md | 16 +- 4 files changed, 210 insertions(+), 147 deletions(-) create mode 100644 history/2026-07-02_changes.md create mode 100644 history/2026-07-02_projects.csv diff --git a/README.md b/README.md index e4ad533..a8465fe 100644 --- a/README.md +++ b/README.md @@ -15,7 +15,7 @@

-This curated list contains 38 awesome open-source projects with a total of 4.9K stars grouped into 0 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [issue](https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose), submit a [pull request](https://github.com/deepmodeling/deepmodeling-projects/pulls), or directly edit the [projects.yaml](https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml). Contributions are very welcome! +This curated list contains 38 awesome open-source projects with a total of 5.1K stars grouped into 0 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [issue](https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose), submit a [pull request](https://github.com/deepmodeling/deepmodeling-projects/pulls), or directly edit the [projects.yaml](https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml). Contributions are very welcome! > 🧙‍♂️ Discover other [best-of lists](https://best-of.org) or [create your own](https://github.com/best-of-lists/best-of/blob/main/create-best-of-list.md). @@ -44,74 +44,90 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K Back to top -
DeePMD-kit (🥇27 · ⭐ 1.9K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 +
DeePMD-kit (🥇30 · ⭐ 2K · 📈) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 84 · 🔀 580 · 📥 69K · 📋 1K - 10% open · ⏱️ 08.04.2026): +- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 88 · 🔀 600 · 📥 73K · 📦 56 · 📋 1.1K - 14% open · ⏱️ 02.07.2026): ``` git clone https://github.com/deepmodeling/deepmd-kit ``` -- [PyPi](https://pypi.org/project/deepmd-kit) (📥 7.1K / month): +- [PyPi](https://pypi.org/project/deepmd-kit) (📥 9.8K / month): ``` pip install deepmd-kit ``` -- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.7M · ⏱️ 19.03.2026): +- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.9M · ⏱️ 07.06.2026): ``` conda install -c conda-forge deepmd-kit ``` -- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 15 / month): +- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 42 / month): ``` npm install deepmd-kit ``` -- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 5.4K · ⭐ 1 · ⏱️ 05.04.2026): +- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 6K · ⭐ 1 · ⏱️ 07.06.2026): ``` docker pull deepmodeling/deepmd-kit ```
-
dpdata (🥇27 · ⭐ 240 · 📈) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 +
ABACUS (🥇27 · ⭐ 280 · 📈) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 67 · 🔀 150 · 📦 160 · 📋 140 - 20% open · ⏱️ 06.04.2026): +- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 160 · 🔀 230 · 📋 2.6K - 8% open · ⏱️ 02.07.2026): + + ``` + git clone https://github.com/deepmodeling/abacus-develop + ``` +- [Conda](https://anaconda.org/conda-forge/abacus) (📥 700K · ⏱️ 20.12.2025): + ``` + conda install -c conda-forge abacus + ``` +
+
dpdata (🥇26 · ⭐ 250 · 📉) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 + +- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 70 · 🔀 150 · 📦 160 · 📋 160 - 27% open · ⏱️ 02.07.2026): ``` git clone https://github.com/deepmodeling/dpdata ``` -- [PyPi](https://pypi.org/project/dpdata) (📥 72K / month): +- [PyPi](https://pypi.org/project/dpdata) (📥 110K / month): ``` pip install dpdata ``` -- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 120K · ⏱️ 01.03.2026): +- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 130K · ⏱️ 07.05.2026): ``` conda install -c conda-forge dpdata ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 730 · ⏱️ 02.06.2023): +- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 740 · ⏱️ 02.06.2023): ``` docker pull dptechnology/dpdata ```
-
ABACUS (🥇25 · ⭐ 260) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 +
DP-GEN (🥇24 · ⭐ 390) - 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/abacus-develop) (👨‍💻 150 · 🔀 220 · 📋 2.5K - 7% open · ⏱️ 09.04.2026): +- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 75 · 🔀 190 · 📥 2.1K · 📦 8 · 📋 370 - 17% open · ⏱️ 02.07.2026): ``` - git clone https://github.com/deepmodeling/abacus-develop + git clone https://github.com/deepmodeling/dpgen ``` -- [Conda](https://anaconda.org/conda-forge/abacus) (📥 630K · ⏱️ 20.12.2025): +- [PyPi](https://pypi.org/project/dpgen) (📥 830 / month): ``` - conda install -c conda-forge abacus + pip install dpgen + ``` +- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 54K · ⏱️ 13.05.2026): + ``` + conda install -c conda-forge dpgen ```
-
dpdispatcher (🥇23 · ⭐ 57) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 +
dpdispatcher (🥈22 · ⭐ 57 · 📉) - 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) (👨‍💻 49 · 🔀 58 · 📦 70 · 📋 99 - 19% open · ⏱️ 29.03.2026): +- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 50 · 🔀 58 · 📦 70 · 📋 120 - 30% open · ⏱️ 01.07.2026): ``` git clone https://github.com/deepmodeling/dpdispatcher ``` -- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.8K / month): +- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.9K / month): ``` pip install dpdispatcher ``` -- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 42K · ⏱️ 25.02.2026): +- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 47K · ⏱️ 25.02.2026): ``` conda install -c conda-forge dpdispatcher ``` @@ -120,263 +136,247 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K docker pull dptechnology/dpdispatcher ```
-
DP-GEN (🥈22 · ⭐ 380 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0 +
reacnetgenerator (🥈20 · ⭐ 99) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 73 · 🔀 180 · 📥 2.1K · 📋 340 - 11% open · ⏱️ 06.04.2026): +- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 20 · 🔀 45 · 📦 3 · 📋 140 - 13% open · ⏱️ 20.06.2026): ``` - git clone https://github.com/deepmodeling/dpgen + git clone https://github.com/deepmodeling/reacnetgenerator ``` -- [PyPi](https://pypi.org/project/dpgen) (📥 660 / month): +- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2.1K / month): ``` - pip install dpgen + pip install reacnetgenerator ``` -- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 50K · ⏱️ 07.08.2025): +- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 800K · ⏱️ 11.11.2025): ``` - conda install -c conda-forge dpgen + conda install -c conda-forge reacnetgenerator ```
-
reacnetgenerator (🥈20 · ⭐ 97) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +
APEX (🥈18 · ⭐ 45 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 46 · 📦 3 · 📋 130 - 6% open · ⏱️ 15.03.2026): +- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 13 · 🔀 27 · 📦 4 · ⏱️ 01.07.2026): ``` - git clone https://github.com/deepmodeling/reacnetgenerator - ``` -- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2.5K / month): - ``` - pip install reacnetgenerator + git clone https://github.com/deepmodeling/APEX ``` -- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 760K · ⏱️ 11.11.2025): +- [PyPi](https://pypi.org/project/apex-flow) (📥 560 / month): ``` - conda install -c conda-forge reacnetgenerator + pip install apex-flow ```
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dargs (🥈18 · ⭐ 6) - Argument processing for the deep modeling project. LGPL-3.0 +
DPGEN2 (🥈18 · ⭐ 42) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 8 · 🔀 4 · 📦 160 · 📋 14 - 21% open · ⏱️ 24.02.2026): +- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 19 · 🔀 37 · 📦 6 · 📋 62 - 51% open · ⏱️ 23.06.2026): ``` - git clone https://github.com/deepmodeling/dargs - ``` -- [PyPi](https://pypi.org/project/dargs) (📥 80K / month): + git clone https://github.com/deepmodeling/dpgen2 ``` - pip install dargs +- [PyPi](https://pypi.org/project/dpgen2) (📥 230 / month): ``` -- [Conda](https://anaconda.org/conda-forge/dargs) (📥 63K · ⏱️ 25.02.2026): + pip install dpgen2 ``` - conda install -c conda-forge dargs +- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 4.7K · ⏱️ 23.06.2026): ``` -
-
DeepFlame (🥈17 · ⭐ 210) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 - -- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 30 · 🔀 75 · 📋 63 - 41% open · ⏱️ 14.02.2026): - - ``` - git clone https://github.com/deepmodeling/deepflame-dev + docker pull dptechnology/dpgen2 ```
-
dflow (🥈17 · ⭐ 81) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 +
dargs (🥈18 · ⭐ 7) - Argument processing for the deep modeling project. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 29 · 📋 36 - 36% open · ⏱️ 21.01.2026): +- [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 8 · 🔀 4 · 📦 160 · 📋 32 - 65% open · ⏱️ 24.02.2026): ``` - git clone https://github.com/deepmodeling/dflow - ``` -- [PyPi](https://pypi.org/project/dflow): - ``` - pip install dflow + git clone https://github.com/deepmodeling/dargs ``` -- [Conda](https://anaconda.org/conda-forge/dflow): +- [PyPi](https://pypi.org/project/dargs) (📥 130K / month): ``` - conda install -c conda-forge dflow + pip install dargs ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 18K · ⏱️ 21.01.2026): +- [Conda](https://anaconda.org/conda-forge/dargs) (📥 69K · ⏱️ 25.02.2026): ``` - docker pull dptechnology/dflow + conda install -c conda-forge dargs ```
-
DPGEN2 (🥈16 · ⭐ 40) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 +
JAX-FEM (🥈17 · ⭐ 710 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 19 · 🔀 36 · 📦 6 · 📋 46 - 39% open · ⏱️ 04.04.2026): +- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 17 · 🔀 120 · 📦 4 · 📋 76 - 28% open · ⏱️ 13.06.2026): ``` - git clone https://github.com/deepmodeling/dpgen2 + git clone https://github.com/deepmodeling/jax-fem ``` -- [PyPi](https://pypi.org/project/dpgen2) (📥 94 / month): +- [PyPi](https://pypi.org/project/jax-fem) (📥 1.3K / month): ``` - pip install dpgen2 + pip install jax-fem ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 4.5K · ⏱️ 11.03.2026): +
+
DeepFlame (🥈17 · ⭐ 220) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 + +- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 31 · 🔀 78 · 📋 64 - 40% open · ⏱️ 04.06.2026): + ``` - docker pull dptechnology/dpgen2 + git clone https://github.com/deepmodeling/deepflame-dev ```
-
APEX (🥈15 · ⭐ 45 · 💤) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 +
DeePTB (🥈17 · ⭐ 120 · 📈) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 27 · 📦 4 · 📋 10 - 10% open · ⏱️ 10.04.2025): +- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 15 · 🔀 31 · 📦 4 · 📋 79 - 46% open · ⏱️ 26.06.2026): ``` - git clone https://github.com/deepmodeling/APEX + git clone https://github.com/deepmodeling/DeePTB ``` -- [PyPi](https://pypi.org/project/apex-flow) (📥 150 / month): +- [PyPi](https://pypi.org/project/dptb) (📥 350 / month): ``` - pip install apex-flow + pip install dptb ```
-
DP-GUI (🥈15 · ⭐ 9 · 💤) - A web-based GUI for user inputs. LGPL-3.0 +
dflow (🥈15 · ⭐ 81 · 📉) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 13 · ⏱️ 26.08.2025): +- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 30 · 📋 36 - 36% open · ⏱️ 21.01.2026): ``` - git clone https://github.com/deepmodeling/dpgui + git clone https://github.com/deepmodeling/dflow ``` -- [PyPi](https://pypi.org/project/dpgui) (📥 68K / month): +- [PyPi](https://pypi.org/project/dflow): ``` - pip install dpgui + pip install dflow ``` -
-
JAX-FEM (🥈14 · ⭐ 640) - Differentiable Finite Element Method with JAX. GPL-3.0 - -- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 17 · 🔀 110 · 📦 3 · 📋 71 - 35% open · ⏱️ 08.02.2026): - +- [Conda](https://anaconda.org/conda-forge/dflow): ``` - git clone https://github.com/deepmodeling/jax-fem + conda install -c conda-forge dflow ``` -- [PyPi](https://pypi.org/project/jax-fem) (📥 620 / month): +- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 20K · ⏱️ 21.01.2026): ``` - pip install jax-fem + docker pull dptechnology/dflow ```
-
DeePTB (🥈14 · ⭐ 100 · 📉) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 +
DP-GUI (🥈15 · ⭐ 9 · 💤) - A web-based GUI for user inputs. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 15 · 🔀 29 · 📦 4 · 📋 60 - 33% open · ⏱️ 19.03.2026): +- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 15 · 📋 13 - 92% open · ⏱️ 26.08.2025): ``` - git clone https://github.com/deepmodeling/DeePTB + git clone https://github.com/deepmodeling/dpgui ``` -- [PyPi](https://pypi.org/project/dptb) (📥 140 / month): +- [PyPi](https://pypi.org/project/dpgui) (📥 110K / month): ``` - pip install dptb + pip install dpgui ```
-
DMFF (🥈13 · ⭐ 190) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 +
DMFF (🥈12 · ⭐ 200 · 📉) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 17 · 🔀 46 · 📋 28 - 28% open · ⏱️ 07.04.2026): +- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 17 · 🔀 49 · 📋 28 - 28% open · ⏱️ 07.04.2026): ``` git clone https://github.com/deepmodeling/DMFF ``` -- [Conda](https://anaconda.org/conda-forge/dmff) (📥 3.1K · ⏱️ 22.04.2025): +- [Conda](https://anaconda.org/conda-forge/dmff) (📥 3.5K · ⏱️ 22.04.2025): ``` conda install -c conda-forge dmff ```
-
rid-kit (🥉12 · ⭐ 52 · 💤) - Reinforced dynamics. LGPL-3.0 +
rid-kit (🥈12 · ⭐ 52 · 💤) - Reinforced dynamics. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 25 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025): ``` git clone https://github.com/deepmodeling/rid-kit ``` -- [PyPi](https://pypi.org/project/rid-kit) (📥 58 / month): +- [PyPi](https://pypi.org/project/rid-kit) (📥 110 / month): ``` pip install rid-kit ```
-
GPUMD (🥉12 · ⭐ 12) - Graphics Processing Units Molecular Dynamics. GPL-3.0 +
GPUMD (🥈12 · ⭐ 13) - Graphics Processing Units Molecular Dynamics. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 57 · ⏱️ 27.03.2026): +- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 61 · ⏱️ 09.06.2026): ``` git clone https://github.com/deepmodeling/GPUMD ```
-
deepmodeling_sphinx (🥉12 · ⭐ 3) - Sphinx extension for DeepModeling projects. LGPL-3.0 +
dpti (🥉11 · ⭐ 37) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 8 · 🔀 6 · ⏱️ 12.11.2025): +- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 17 · 🔀 23 · 📦 2 · 📋 38 - 97% open · ⏱️ 19.06.2026): ``` - git clone https://github.com/deepmodeling/deepmodeling_sphinx + git clone https://github.com/deepmodeling/dpti ``` -- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.4K / month): +- [PyPi](https://pypi.org/project/dpti) (📥 65 / month): ``` - pip install deepmodeling_sphinx + pip install dpti ```
-
dpti (🥉10 · ⭐ 35 · 💤) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 +
fealpy (🥉11 · ⭐ 6 · 💤) - Finite Element Analysis Library in Python. Unlicensed -- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 17 · 🔀 23 · 📦 2 · 📋 10 - 90% open · ⏱️ 15.03.2025): +- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025): ``` - git clone https://github.com/deepmodeling/dpti + git clone https://github.com/deepmodeling/fealpy ``` -- [PyPi](https://pypi.org/project/dpti) (📥 25 / month): +- [PyPi](https://pypi.org/project/fealpy) (📥 1.3K / month): ``` - pip install dpti + pip install fealpy ```
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fealpy (🥉10 · ⭐ 6 · 💤) - Finite Element Analysis Library in Python. Unlicensed +
deepmodeling_sphinx (🥉11 · ⭐ 2 · 📉) - Sphinx extension for DeepModeling projects. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025): +- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 8 · 🔀 6 · 📋 13 - 92% open · ⏱️ 31.05.2026): ``` - git clone https://github.com/deepmodeling/fealpy + git clone https://github.com/deepmodeling/deepmodeling_sphinx ``` -- [PyPi](https://pypi.org/project/fealpy) (📥 450 / month): +- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 5.5K / month): ``` - pip install fealpy + pip install deepmodeling_sphinx ```
DeePKS-kit (🥉9 · ⭐ 120 · 💤) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 36 · 📋 31 - 45% open · ⏱️ 28.04.2025): +- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 35 · 📋 31 - 45% open · ⏱️ 28.04.2025): ``` git clone https://github.com/deepmodeling/deepks-kit ```
+
Blog (🥉9 · ⭐ 3) - DeepModeling Blog. LGPL-3.0 + +- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 11 · 🔀 9 · ⏱️ 02.07.2026): + + ``` + git clone https://github.com/deepmodeling/blog + ``` +
fpop (🥉9 · ⭐ 3 · 💤) - LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 12 · 📦 15 · ⏱️ 01.07.2024): +- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 12 · 📦 18 · ⏱️ 01.07.2024): ``` git clone https://github.com/deepmodeling/fpop ``` -- [PyPi](https://pypi.org/project/fpop) (📥 340 / month): +- [PyPi](https://pypi.org/project/fpop) (📥 790 / month): ``` pip install fpop ```
-
args (🥉9 · ⭐ 2) - DeepModeling dargs arguments generation. LGPL-3.0 +
args (🥉9 · ⭐ 2 · 💤) - DeepModeling dargs arguments generation. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 15.12.2025): ``` git clone https://github.com/deepmodeling/args ``` -- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 32 / month): +- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 140 / month): ``` npm install @deepmodeling/args ```
AIS-Square (🥉8 · ⭐ 15) - LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 03.04.2026): +- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 9 · 📋 6 - 83% open · ⏱️ 26.06.2026): ``` git clone https://github.com/deepmodeling/AIS-Square ```
-
Blog (🥉8 · ⭐ 3) - DeepModeling Blog. LGPL-3.0 - -- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 11 · 🔀 10 · ⏱️ 04.02.2026): - - ``` - git clone https://github.com/deepmodeling/blog - ``` -
-
community (🥉7 · ⭐ 93) - DeepModeling community content. Unlicensed +
community (🥉7 · ⭐ 95 · 💤) - DeepModeling community content. Unlicensed - [GitHub](https://github.com/deepmodeling/community) (👨‍💻 20 · 🔀 24 · ⏱️ 25.12.2025): @@ -384,19 +384,19 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K git clone https://github.com/deepmodeling/community ```
-
Uni-Fold (🥉7 · ⭐ 93 · 💤) - Apache-2 +
Uni-Fold (🥉7 · ⭐ 94 · 💤) - Apache-2 - [GitHub](https://github.com/deepmodeling/Uni-Fold) (👨‍💻 3 · 🔀 19 · ⏱️ 18.08.2022): ``` git clone https://github.com/deepmodeling/Uni-Fold ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 1.5K · ⏱️ 08.01.2024): +- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 1.6K · ⏱️ 08.01.2024): ``` docker pull dptechnology/unifold ```
-
tbplas (🥉6 · ⭐ 17 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). Unlicensed +
tbplas (🥉6 · ⭐ 18 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). Unlicensed - [GitHub](https://github.com/deepmodeling/tbplas) (👨‍💻 10 · 🔀 6 · ⏱️ 17.01.2024): @@ -404,9 +404,9 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K git clone https://github.com/deepmodeling/tbplas ```
-
tutorials (🥉6 · ⭐ 16) - Tutorials for DeepModeling projects. Unlicensed +
tutorials (🥉6 · ⭐ 17) - Tutorials for DeepModeling projects. Unlicensed -- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 12 · 🔀 24 · 📋 4 - 25% open · ⏱️ 11.03.2026): +- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 12 · 🔀 23 · 📋 4 - 25% open · ⏱️ 11.03.2026): ``` git clone https://github.com/deepmodeling/tutorials @@ -444,20 +444,20 @@ This curated list contains 38 awesome open-source projects with a total of 4.9K git clone https://github.com/deepmodeling/DeepH-pack ```
-
DeePDih (🥉4 · ⭐ 6 · 📉) - Deep Potential driven molecular dihedral scan toolkit. MIT +
tutorials-cn (🥉4 · ⭐ 6 · 💤) - LGPL-2.1 -- [GitHub](https://github.com/deepmodeling/DeePDih) (👨‍💻 2 · 🔀 3 · 📥 7 · ⏱️ 07.04.2026): +- [GitHub](https://github.com/deepmodeling/tutorials-cn) (👨‍💻 4 · 🔀 8 · ⏱️ 29.12.2022): ``` - git clone https://github.com/deepmodeling/DeePDih + git clone https://github.com/deepmodeling/tutorials-cn ```
-
tutorials-cn (🥉4 · ⭐ 6 · 💤) - LGPL-2.1 +
DeePDih (🥉3 · ⭐ 6) - Deep Potential driven molecular dihedral scan toolkit. MIT -- [GitHub](https://github.com/deepmodeling/tutorials-cn) (👨‍💻 4 · 🔀 8 · ⏱️ 29.12.2022): +- [GitHub](https://github.com/deepmodeling/DeePDih) (👨‍💻 2 · 🔀 3 · 📥 8 · ⏱️ 07.04.2026): ``` - git clone https://github.com/deepmodeling/tutorials-cn + git clone https://github.com/deepmodeling/DeePDih ```
LibRI (🥉2 · ⭐ 6 · 💤) - GPL-3.0 diff --git a/history/2026-07-02_changes.md b/history/2026-07-02_changes.md new file mode 100644 index 0000000..7bdf555 --- /dev/null +++ b/history/2026-07-02_changes.md @@ -0,0 +1,20 @@ +## 📈 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._ + +- DeePMD-kit (🥇30 · ⭐ 2K · 📈) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 +- ABACUS (🥇27 · ⭐ 280 · 📈) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 +- APEX (🥈18 · ⭐ 45 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 +- JAX-FEM (🥈17 · ⭐ 710 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0 +- DeePTB (🥈17 · ⭐ 120 · 📈) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. 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._ + +- dpdata (🥇26 · ⭐ 250 · 📉) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 +- dpdispatcher (🥈22 · ⭐ 57 · 📉) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 +- dflow (🥈15 · ⭐ 81 · 📉) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 +- DMFF (🥈12 · ⭐ 200 · 📉) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 +- deepmodeling_sphinx (🥉11 · ⭐ 2 · 📉) - Sphinx extension for DeepModeling projects. LGPL-3.0 + diff --git a/history/2026-07-02_projects.csv b/history/2026-07-02_projects.csv new file mode 100644 index 0000000..e56781f --- /dev/null +++ b/history/2026-07-02_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 15:23:44,2026-07-02 14:09:00.000000,2026-07-02 05:20:45,3804,178.0,601.0,47.0,3012.0,156.0,953.0,1979,2026-03-19 09:37:17,3.1.3,72860.0,56723.0,62.0,A deep learning package for many-body potential energy representation and molecular dynamics.,56.0,56.0,88,https://pypi.org/project/deepmd-kit,9848.0,https://anaconda.org/conda-forge/deepmd-kit,2026-06-07 10:09:31.065,2889552.0,https://www.npmjs.com/package/deepmd-kit,42.0,https://hub.docker.com/r/deepmodeling/deepmd-kit,2026-06-07 12:16:36.241892,1.0,5994.0,30,True,others,1,3.0 +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 04:04:52,2026-07-02 09:28:52.000000,2026-07-02 09:28:51,7897,168.0,234.0,10.0,4782.0,232.0,2392.0,276,2026-06-27 08:41:58,3.11.0-beta5,,19453.0,97.0,An electronic structure package based on either plane wave basis or numerical atomic orbitals.,,,159,,,https://anaconda.org/conda-forge/abacus,2025-12-20 09:51:19.492,700327.0,,,,,,,27,True,others,1,2.0 +2,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 13:24:23,2026-07-02 15:23:43.000000,2026-07-02 15:23:43,942,16.0,153.0,6.0,692.0,45.0,116.0,253,2026-05-07 13:32:49,1.0.2,,114880.0,44.0,A Python package for manipulating atomistic data of software in computational science.,163.0,163.0,70,https://pypi.org/project/dpdata,113018.0,https://anaconda.org/conda-forge/dpdata,2026-05-07 19:44:41.918,131634.0,,,https://hub.docker.com/r/dptechnology/dpdata,2023-06-02 09:30:14.674068,,743.0,26,True,others,1,-1.0 +3,DP-GEN,deepmodeling/dpgen,dpgen,conda-forge/dpgen,,,https://github.com/deepmodeling/dpgen,https://github.com/deepmodeling/dpgen,LGPL-3.0,2019-06-13 11:43:56,2026-07-02 15:20:43.000000,2026-07-02 15:20:42,2255,13.0,187.0,9.0,970.0,65.0,301.0,391,2026-05-12 17:41:50,0.13.3,2105.0,1590.0,22.0,The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field.,8.0,8.0,75,https://pypi.org/project/dpgen,831.0,https://anaconda.org/conda-forge/dpgen,2026-05-13 09:42:35.071,53534.0,,,,,,,24,True,others,1, +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 05:14:37,2026-07-01 02:09:57.000000,2026-07-01 02:09:55,1163,7.0,58.0,4.0,476.0,36.0,81.0,57,2026-03-29 17:31:30,1.0.3,,6148.0,56.0,generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish.,70.0,70.0,50,https://pypi.org/project/dpdispatcher,2866.0,https://anaconda.org/conda-forge/dpdispatcher,2026-02-25 23:31:49.645,47009.0,,,https://hub.docker.com/r/dptechnology/dpdispatcher,2026-03-29 17:36:27.626936,,151523.0,22,True,others,2,-1.0 +5,reacnetgenerator,deepmodeling/reacnetgenerator,reacnetgenerator,conda-forge/reacnetgenerator,,,https://github.com/deepmodeling/reacnetgenerator,https://github.com/deepmodeling/reacnetgenerator,LGPL-3.0,2018-04-06 15:07:56,2026-06-29 20:29:36.000000,2026-06-20 18:13:39,2576,16.0,45.0,6.0,2288.0,20.0,124.0,99,2025-01-05 07:30:15,1.6.15,,12958.0,100.0,an automatic reaction network generator for reactive molecular dynamics simulation.,3.0,3.0,20,https://pypi.org/project/reacnetgenerator,2084.0,https://anaconda.org/conda-forge/reacnetgenerator,2025-11-11 16:14:11.843,804698.0,,,,,,,20,True,others,2, +6,APEX,deepmodeling/APEX,apex-flow,,,,https://github.com/deepmodeling/APEX,https://github.com/deepmodeling/APEX,LGPL-3.0,2023-04-20 06:13:42,2026-07-01 06:07:16.000000,2026-07-01 06:07:16,787,103.0,27.0,7.0,109.0,,10.0,45,2026-06-06 16:23:40,1.3.0,,560.0,5.0,APEX: Alloy Properties EXplorer using simulations.,4.0,4.0,13,https://pypi.org/project/apex-flow,560.0,,,,,,,,,,18,True,others,2,3.0 +7,DPGEN2,deepmodeling/dpgen2,dpgen2,,,dptechnology/dpgen2,https://github.com/deepmodeling/dpgen2,https://github.com/deepmodeling/dpgen2,LGPL-3.0,2022-02-28 02:41:16,2026-06-23 00:58:47.581499,2026-06-23 00:57:09,365,10.0,37.0,6.0,290.0,32.0,30.0,42,2026-06-18 07:40:04,0.1.0,,316.0,8.0,2nd generation of the Deep Potential GENerator.,6.0,6.0,19,https://pypi.org/project/dpgen2,228.0,,,,,,https://hub.docker.com/r/dptechnology/dpgen2,2026-06-23 00:58:47.581499,,4676.0,18,True,others,2, +8,dargs,deepmodeling/dargs,dargs,conda-forge/dargs,,,https://github.com/deepmodeling/dargs,https://github.com/deepmodeling/dargs,LGPL-3.0,2020-09-19 22:20:28,2026-06-29 20:29:22.000000,2026-02-24 10:51:44,175,,4.0,5.0,98.0,21.0,11.0,7,2026-02-24 10:55:05,0.5.0.post0,,127182.0,34.0,Argument processing for the deep modeling project.,162.0,162.0,8,https://pypi.org/project/dargs,126083.0,https://anaconda.org/conda-forge/dargs,2026-02-25 05:33:17.014,69254.0,,,,,,,18,True,others,2, +9,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 15:20:54,2026-06-13 03:52:10.000000,2026-06-13 03:51:13,296,22.0,120.0,15.0,15.0,22.0,54.0,706,,,,1312.0,,Differentiable Finite Element Method with JAX.,4.0,4.0,17,https://pypi.org/project/jax-fem,1312.0,,,,,,,,,,17,True,others,2,3.0 +10,DeepFlame,deepmodeling/deepflame-dev,,,,,https://github.com/deepmodeling/deepflame-dev,https://github.com/deepmodeling/deepflame-dev,GPL-3.0,2022-06-12 10:25:12,2026-06-04 07:16:50.000000,2026-06-04 07:16:49,1197,16.0,78.0,8.0,520.0,26.0,38.0,217,2026-01-28 10:56:30,2.0.0,,,23.0,A deep learning empowered open-source platform for reacting flow simulations.,,,31,,,,,,,,,,,,17,True,others,2, +11,DeePTB,deepmodeling/DeePTB,dptb,,,,https://github.com/deepmodeling/DeePTB,https://github.com/deepmodeling/DeePTB,LGPL-3.0,2023-07-11 03:19:42,2026-06-29 20:15:29.000000,2026-06-26 10:18:10,861,22.0,31.0,2.0,274.0,37.0,42.0,115,2026-06-20 09:05:16,2.2.1,,351.0,13.0,DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.,4.0,4.0,15,https://pypi.org/project/dptb,351.0,,,,,,,,,,17,True,others,2,3.0 +12,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 08:14:36,2026-01-21 07:08:16.591515,2026-01-21 07:05:50,2277,,30.0,1.0,914.0,13.0,23.0,81,2026-01-21 07:06:16,1.8.133,,372.0,100.0,Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows)..,,,23,https://pypi.org/project/dflow,,https://anaconda.org/conda-forge/dflow,,,,,https://hub.docker.com/r/dptechnology/dflow,2026-01-21 07:08:16.591515,,20124.0,15,True,others,2,-2.0 +13,DP-GUI,deepmodeling/dpgui,dpgui,,,,https://github.com/deepmodeling/dpgui,https://github.com/deepmodeling/dpgui,LGPL-3.0,2021-07-21 18:48:23,2026-06-29 20:29:31.000000,2025-08-26 11:26:26,326,,5.0,5.0,554.0,12.0,1.0,9,2024-11-17 07:05:49,1.0.1.post0,,108003.0,5.0,A web-based GUI for user inputs.,15.0,15.0,4,https://pypi.org/project/dpgui,108003.0,,,,,,,,,,15,True,others,2, +14,DMFF,deepmodeling/DMFF,,conda-forge/dmff,,,https://github.com/deepmodeling/DMFF,https://github.com/deepmodeling/DMFF,LGPL-3.0,2022-02-14 01:35:50,2026-04-07 01:20:04.000000,2026-04-07 00:52:04,441,1.0,49.0,8.0,182.0,8.0,20.0,198,2023-11-09 14:32:37,1.0.0,,115.0,4.0,DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable..,,,17,,,https://anaconda.org/conda-forge/dmff,2025-04-22 14:58:55.028,3466.0,,,,,,,12,True,others,2,-1.0 +15,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,,25.0,4.0,21.0,2.0,3.0,52,2024-05-14 03:25:35,0.6.4,148.0,115.0,5.0,Reinforced dynamics.,2.0,2.0,14,https://pypi.org/project/rid-kit,113.0,,,,,,,,,,12,True,others,2, +16,GPUMD,deepmodeling/GPUMD,,,,,https://github.com/deepmodeling/GPUMD,https://github.com/deepmodeling/GPUMD,GPL-3.0,2024-06-18 05:40:21,2026-06-09 14:34:09.000000,2026-06-09 13:28:02,6867,303.0,,,,,,13,,,,,,Graphics Processing Units Molecular Dynamics.,,,61,,,,,,,,,,,,12,True,others,2, +17,dpti,deepmodeling/dpti,dpti,,,,https://github.com/deepmodeling/dpti,https://github.com/deepmodeling/dpti,LGPL-3.0,2021-04-04 13:57:37,2026-06-29 20:30:11.000000,2026-06-19 16:55:41,452,20.0,23.0,7.0,110.0,37.0,1.0,37,,,,65.0,,A Python Package to Automate Thermodynamic Integration Calculations for Free Energy.,2.0,2.0,17,https://pypi.org/project/dpti,65.0,,,,,,,,,,11,True,others,3, +18,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,,2.0,,1.0,,,6,,,,1270.0,,Finite Element Analysis Library in Python.,,,69,https://pypi.org/project/fealpy,1270.0,,,,,,,,,,11,True,others,3, +19,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 00:19:06,2026-06-29 20:29:21.000000,2026-05-31 18:45:20,86,5.0,6.0,5.0,80.0,12.0,1.0,2,2026-05-31 18:46:03,0.4.1,,5516.0,28.0,Sphinx extension for DeepModeling projects.,,,8,https://pypi.org/project/deepmodeling_sphinx,5516.0,,,,,,,,,,11,True,others,3,-1.0 +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,,35.0,13.0,47.0,14.0,17.0,118,,,,,,a package for developing machine learning-based chemically accurate energy and density functional models.,,,7,,,,,,,,,,,,9,True,others,3, +21,Blog,deepmodeling/blog,,,,,https://github.com/deepmodeling/blog,https://github.com/deepmodeling/blog,LGPL-3.0,2021-06-10 23:11:55,2026-07-02 08:01:55.000000,2026-07-02 08:01:54,402,13.0,9.0,6.0,355.0,,,3,,,,,,DeepModeling Blog.,,,11,,,,,,,,,,,,9,True,others,3, +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,,12.0,9.0,26.0,10.0,,3,,,,788.0,,,18.0,18.0,4,https://pypi.org/project/fpop,788.0,,,,,,,,,,9,True,others,3, +23,args,deepmodeling/args,,,@deepmodeling/args,,https://github.com/deepmodeling/args,https://github.com/deepmodeling/args,LGPL-3.0,2021-12-27 03:27:24,2026-05-19 00:39:45.000000,2025-12-15 15:39:22,88,,2.0,4.0,74.0,,,2,2025-03-06 02:44:56,0.1.1,,142.0,18.0,DeepModeling dargs arguments generation.,5.0,5.0,3,,,,,,https://www.npmjs.com/package/@deepmodeling/args,142.0,,,,,9,True,others,3, +24,AIS-Square,deepmodeling/AIS-Square,,,,,https://github.com/deepmodeling/AIS-Square,https://github.com/deepmodeling/AIS-Square,LGPL-3.0,2022-09-13 09:52:30,2026-06-26 09:31:29.000000,2026-06-26 09:31:28,1306,26.0,9.0,8.0,211.0,5.0,1.0,15,,,,,,,,,8,,,,,,,,,,,,8,True,others,3, +25,community,deepmodeling/community,,,,,https://github.com/deepmodeling/community,https://github.com/deepmodeling/community,,2021-05-06 04:50:02,2025-12-25 02:14:41.000000,2025-12-25 02:14:41,179,,24.0,10.0,56.0,,2.0,95,,,,,,DeepModeling community content.,,,20,,,,,,,,,,,,7,True,others,3, +26,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,,1.0,94,,,,29.0,,,,,3,,,,,,,,https://hub.docker.com/r/dptechnology/unifold,2024-01-08 06:24:09.367953,,1608.0,7,True,others,3, +27,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,,6.0,9.0,2.0,26.0,,18,2024-03-01 09:33:35,1.6,,,1.0,Repository of TBPLaS (tight-binding package for large-scale simulation).,,,10,,,,,,,,,,,,6,True,others,3, +28,tutorials,deepmodeling/tutorials,,,,,https://github.com/deepmodeling/tutorials,https://github.com/deepmodeling/tutorials,,2022-03-07 06:19:19,2026-03-11 03:01:34.000000,2026-03-11 02:48:33,147,,23.0,4.0,72.0,1.0,3.0,17,,,,,,Tutorials for DeepModeling projects.,,,12,,,,,,,,,,,,6,True,others,3, +29,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,,,,,,,,,,,,6,True,others,3, +30,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,,16.0,9.0,29.0,,1.0,102,,,,,,AI for Science.,,,5,,,,,,,,,,,,5,True,others,3, +31,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,,6.0,,,3,,,,,,Automatic Differentiation Multipole Moment Molecular Forcefield.,,,7,,,,,,,,,,,,5,True,others,3, +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,,6.0,1.0,2.0,4.0,2.0,14,,,,,,Deep neural networks for density functional theory Hamiltonian.,,,6,,,,,,,,,,,,4,True,others,3, +33,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,,8.0,5.0,14.0,,,6,,,,,,,,,4,,,,,,,,,,,,4,True,others,3, +34,DeePDih,deepmodeling/DeePDih,,,,,https://github.com/deepmodeling/DeePDih,https://github.com/deepmodeling/DeePDih,MIT,2024-03-03 13:22:19,2026-04-07 09:18:59.000000,2026-04-07 09:18:53,65,2.0,3.0,2.0,,,,6,2024-12-21 09:53:32,dpa-2-gfn2-xtb-tblite,8.0,0.0,1.0,Deep Potential driven molecular dihedral scan toolkit.,,,2,,,,,,,,,,,,3,True,others,3, +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,,1.0,1.0,1.0,2.0,1.0,6,,,,,,,,,3,,,,,,,,,,,,2,True,others,3, +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,,2.0,,1.0,,,1,,,,,,,,,2,,,,,,,,,,,,1,True,others,3, +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,,,,,,,,,,,,-1,True,others,3, diff --git a/latest-changes.md b/latest-changes.md index f476623..7bdf555 100644 --- a/latest-changes.md +++ b/latest-changes.md @@ -2,15 +2,19 @@ _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._ -- dpdata (🥇27 · ⭐ 240 · 📈) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 -- APEX (🥈15 · ⭐ 45 · 💤) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 +- DeePMD-kit (🥇30 · ⭐ 2K · 📈) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 +- ABACUS (🥇27 · ⭐ 280 · 📈) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 +- APEX (🥈18 · ⭐ 45 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 +- JAX-FEM (🥈17 · ⭐ 710 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0 +- DeePTB (🥈17 · ⭐ 120 · 📈) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. 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 · ⭐ 1.9K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 -- DP-GEN (🥈22 · ⭐ 380 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0 -- DeePTB (🥈14 · ⭐ 100 · 📉) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 -- DeePDih (🥉4 · ⭐ 6 · 📉) - Deep Potential driven molecular dihedral scan toolkit. MIT +- dpdata (🥇26 · ⭐ 250 · 📉) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 +- dpdispatcher (🥈22 · ⭐ 57 · 📉) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 +- dflow (🥈15 · ⭐ 81 · 📉) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 +- DMFF (🥈12 · ⭐ 200 · 📉) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 +- deepmodeling_sphinx (🥉11 · ⭐ 2 · 📉) - Sphinx extension for DeepModeling projects. LGPL-3.0