diff --git a/README.md b/README.md index 58f4a1f..6f2f635 100644 --- a/README.md +++ b/README.md @@ -15,7 +15,7 @@

-This curated list contains 38 awesome open-source projects with a total of 4.6K 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 4.7K 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). @@ -44,18 +44,18 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K Back to top -
DeePMD-kit (🥇29 · ⭐ 1.8K) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 +
DeePMD-kit (🥇30 · ⭐ 1.9K · 📈) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 84 · 🔀 560 · 📥 65K · 📦 41 · 📋 950 - 9% open · ⏱️ 23.12.2025): +- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 84 · 🔀 560 · 📥 67K · 📦 45 · 📋 950 - 9% open · ⏱️ 21.01.2026): ``` git clone https://github.com/deepmodeling/deepmd-kit ``` -- [PyPi](https://pypi.org/project/deepmd-kit) (📥 9.1K / month): +- [PyPi](https://pypi.org/project/deepmd-kit) (📥 9K / month): ``` pip install deepmd-kit ``` -- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.4M · ⏱️ 22.12.2025): +- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.5M · ⏱️ 22.12.2025): ``` conda install -c conda-forge deepmd-kit ``` @@ -68,26 +68,26 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K docker pull deepmodeling/deepmd-kit ```
-
ABACUS (🥇25 · ⭐ 240 · 📈) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 +
ABACUS (🥇25 · ⭐ 240) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 140 · 🔀 150 · 📋 2.4K - 7% open · ⏱️ 31.12.2025): +- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 140 · 🔀 150 · 📋 2.5K - 7% open · ⏱️ 21.01.2026): ``` git clone https://github.com/deepmodeling/abacus-develop ``` -- [Conda](https://anaconda.org/conda-forge/abacus) (📥 560K · ⏱️ 20.12.2025): +- [Conda](https://anaconda.org/conda-forge/abacus) (📥 580K · ⏱️ 20.12.2025): ``` conda install -c conda-forge abacus ```
-
DP-GEN (🥇24 · ⭐ 370) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0 +
DP-GEN (🥇24 · ⭐ 380) - 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) (👨‍💻 73 · 🔀 180 · 📥 2K · 📦 8 · 📋 330 - 10% open · ⏱️ 23.12.2025): +- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 73 · 🔀 180 · 📥 2.1K · 📦 8 · 📋 330 - 10% open · ⏱️ 20.01.2026): ``` git clone https://github.com/deepmodeling/dpgen ``` -- [PyPi](https://pypi.org/project/dpgen) (📥 730 / month): +- [PyPi](https://pypi.org/project/dpgen) (📥 600 / month): ``` pip install dpgen ``` @@ -98,12 +98,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
dpdata (🥇24 · ⭐ 240) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 68 · 🔀 140 · 📦 150 · 📋 130 - 20% open · ⏱️ 23.12.2025): +- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 68 · 🔀 140 · 📦 150 · 📋 130 - 20% open · ⏱️ 20.01.2026): ``` git clone https://github.com/deepmodeling/dpdata ``` -- [PyPi](https://pypi.org/project/dpdata) (📥 22K / month): +- [PyPi](https://pypi.org/project/dpdata) (📥 42K / month): ``` pip install dpdata ``` @@ -111,23 +111,23 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K ``` conda install -c conda-forge dpdata ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 690 · ⏱️ 02.06.2023): +- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 700 · ⏱️ 02.06.2023): ``` docker pull dptechnology/dpdata ```
-
dpdispatcher (🥈22 · ⭐ 53 · 📉) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 +
dpdispatcher (🥈22 · ⭐ 54) - 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) (👨‍💻 48 · 🔀 56 · 📦 69 · 📋 97 - 18% open · ⏱️ 21.12.2025): ``` git clone https://github.com/deepmodeling/dpdispatcher ``` -- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.3K / month): +- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.5K / month): ``` pip install dpdispatcher ``` -- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 37K · ⏱️ 11.11.2025): +- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 38K · ⏱️ 11.11.2025): ``` conda install -c conda-forge dpdispatcher ``` @@ -136,25 +136,25 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K docker pull dptechnology/dpdispatcher ```
-
reacnetgenerator (🥈19 · ⭐ 95 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +
reacnetgenerator (🥈19 · ⭐ 95) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 42 · 📦 3 · 📋 130 - 5% open · ⏱️ 02.10.2025): +- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 42 · 📦 3 · 📋 130 - 5% open · ⏱️ 22.01.2026): ``` git clone https://github.com/deepmodeling/reacnetgenerator ``` -- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 1K / month): +- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 1.9K / month): ``` pip install reacnetgenerator ``` -- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 710K · ⏱️ 11.11.2025): +- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 720K · ⏱️ 11.11.2025): ``` conda install -c conda-forge reacnetgenerator ```
-
dflow (🥈17 · ⭐ 79) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 +
dflow (🥈18 · ⭐ 79 · 📈) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 29 · 📋 36 - 36% open · ⏱️ 23.09.2025): +- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 29 · 📋 36 - 36% open · ⏱️ 21.01.2026): ``` git clone https://github.com/deepmodeling/dflow @@ -167,31 +167,31 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K ``` conda install -c conda-forge dflow ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 17K · ⏱️ 23.09.2025): +- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 17K · ⏱️ 21.01.2026): ``` docker pull dptechnology/dflow ```
-
DeePTB (🥈16 · ⭐ 95) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 +
DeePTB (🥈16 · ⭐ 99) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 14 · 🔀 25 · 📦 4 · 📋 57 - 31% open · ⏱️ 24.12.2025): +- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 14 · 🔀 26 · 📦 4 · 📋 58 - 32% open · ⏱️ 11.01.2026): ``` git clone https://github.com/deepmodeling/DeePTB ``` -- [PyPi](https://pypi.org/project/dptb) (📥 160 / month): +- [PyPi](https://pypi.org/project/dptb) (📥 210 / month): ``` pip install dptb ```
DPGEN2 (🥈16 · ⭐ 40) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 19 · 🔀 36 · 📦 6 · 📋 45 - 37% open · ⏱️ 02.12.2025): +- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 19 · 🔀 36 · 📦 6 · 📋 46 - 39% open · ⏱️ 02.12.2025): ``` git clone https://github.com/deepmodeling/dpgen2 ``` -- [PyPi](https://pypi.org/project/dpgen2) (📥 89 / month): +- [PyPi](https://pypi.org/project/dpgen2) (📥 100 / month): ``` pip install dpgen2 ``` @@ -207,55 +207,55 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K ``` git clone https://github.com/deepmodeling/dargs ``` -- [PyPi](https://pypi.org/project/dargs) (📥 30K / month): +- [PyPi](https://pypi.org/project/dargs) (📥 52K / month): ``` pip install dargs ``` -- [Conda](https://anaconda.org/conda-forge/dargs) (📥 58K · ⏱️ 22.04.2025): +- [Conda](https://anaconda.org/conda-forge/dargs) (📥 59K · ⏱️ 22.04.2025): ``` conda install -c conda-forge dargs ```
-
JAX-FEM (🥈15 · ⭐ 550) - Differentiable Finite Element Method with JAX. GPL-3.0 +
DeepFlame (🥈15 · ⭐ 200) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 17 · 🔀 90 · 📦 3 · 📋 69 - 34% open · ⏱️ 13.11.2025): +- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 29 · 🔀 72 · 📋 62 - 43% open · ⏱️ 13.01.2026): ``` - git clone https://github.com/deepmodeling/jax-fem - ``` -- [PyPi](https://pypi.org/project/jax-fem) (📥 590 / month): - ``` - pip install jax-fem + git clone https://github.com/deepmodeling/deepflame-dev ```
-
DeepFlame (🥈15 · ⭐ 200 · 📉) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 +
JAX-FEM (🥈14 · ⭐ 560 · 📉) - Differentiable Finite Element Method with JAX. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 29 · 🔀 72 · 📋 60 - 43% open · ⏱️ 23.07.2025): +- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 17 · 🔀 92 · 📦 3 · 📋 69 - 34% open · ⏱️ 13.11.2025): ``` - git clone https://github.com/deepmodeling/deepflame-dev + git clone https://github.com/deepmodeling/jax-fem + ``` +- [PyPi](https://pypi.org/project/jax-fem) (📥 370 / month): + ``` + pip install jax-fem ```
-
DMFF (🥈14 · ⭐ 180) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 +
DMFF (🥈14 · ⭐ 190) - 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 · 🔀 47 · 📋 28 - 28% open · ⏱️ 06.08.2025): ``` git clone https://github.com/deepmodeling/DMFF ``` -- [Conda](https://anaconda.org/conda-forge/dmff) (📥 2.8K · ⏱️ 22.04.2025): +- [Conda](https://anaconda.org/conda-forge/dmff) (📥 2.9K · ⏱️ 22.04.2025): ``` conda install -c conda-forge dmff ```
-
APEX (🥈14 · ⭐ 41 · 💤) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 +
APEX (🥈14 · ⭐ 42 · 💤) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 23 · 📦 4 · 📋 10 - 10% open · ⏱️ 10.04.2025): +- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 24 · 📦 4 · 📋 10 - 10% open · ⏱️ 10.04.2025): ``` git clone https://github.com/deepmodeling/APEX ``` -- [PyPi](https://pypi.org/project/apex-flow) (📥 220 / month): +- [PyPi](https://pypi.org/project/apex-flow) (📥 320 / month): ``` pip install apex-flow ``` @@ -267,7 +267,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K ``` git clone https://github.com/deepmodeling/dpgui ``` -- [PyPi](https://pypi.org/project/dpgui) (📥 18K / month): +- [PyPi](https://pypi.org/project/dpgui) (📥 39K / month): ``` pip install dpgui ``` @@ -279,14 +279,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K ``` git clone https://github.com/deepmodeling/rid-kit ``` -- [PyPi](https://pypi.org/project/rid-kit) (📥 130 / month): +- [PyPi](https://pypi.org/project/rid-kit) (📥 120 / month): ``` pip install rid-kit ```
GPUMD (🥉12 · ⭐ 11) - Graphics Processing Units Molecular Dynamics. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 55 · ⏱️ 12.12.2025): +- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 56 · ⏱️ 18.01.2026): ``` git clone https://github.com/deepmodeling/GPUMD @@ -299,7 +299,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K ``` git clone https://github.com/deepmodeling/deepmodeling_sphinx ``` -- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.2K / month): +- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.4K / month): ``` pip install deepmodeling_sphinx ``` @@ -311,7 +311,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K ``` git clone https://github.com/deepmodeling/dpti ``` -- [PyPi](https://pypi.org/project/dpti) (📥 33 / month): +- [PyPi](https://pypi.org/project/dpti) (📥 29 / month): ``` pip install dpti ``` @@ -323,7 +323,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K ``` git clone https://github.com/deepmodeling/fealpy ``` -- [PyPi](https://pypi.org/project/fealpy) (📥 520 / month): +- [PyPi](https://pypi.org/project/fealpy) (📥 830 / month): ``` pip install fealpy ``` @@ -344,9 +344,9 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K git clone https://github.com/deepmodeling/community ```
-
AIS-Square (🥉9 · ⭐ 15 · 📈) - LGPL-3.0 +
AIS-Square (🥉9 · ⭐ 15) - LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 29.12.2025): +- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 19.01.2026): ``` git clone https://github.com/deepmodeling/AIS-Square @@ -354,20 +354,20 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
Blog (🥉9 · ⭐ 3) - DeepModeling Blog. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 11 · 🔀 9 · ⏱️ 26.12.2025): +- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 11 · 🔀 9 · ⏱️ 22.01.2026): ``` git clone https://github.com/deepmodeling/blog ```
-
fpop (🥉9 · ⭐ 3 · 💤) - LGPL-3.0 +
fpop (🥉8 · ⭐ 3 · 💤) - LGPL-3.0 - [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 12 · 📦 15 · ⏱️ 01.07.2024): ``` git clone https://github.com/deepmodeling/fpop ``` -- [PyPi](https://pypi.org/project/fpop) (📥 220 / month): +- [PyPi](https://pypi.org/project/fpop) (📥 99 / month): ``` pip install fpop ``` @@ -379,12 +379,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K ``` git clone https://github.com/deepmodeling/args ``` -- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 27 / month): +- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 34 / month): ``` npm install @deepmodeling/args ```
-
Uni-Fold (🥉7 · ⭐ 92 · 💤) - Apache-2 +
Uni-Fold (🥉7 · ⭐ 93 · 💤) - Apache-2 - [GitHub](https://github.com/deepmodeling/Uni-Fold) (👨‍💻 3 · 🔀 19 · ⏱️ 18.08.2022): @@ -422,7 +422,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K
AI4Science101 (🥉5 · ⭐ 99 · 💤) - AI for Science. Unlicensed -- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 15 · ⏱️ 04.09.2022): +- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 16 · ⏱️ 04.09.2022): ``` git clone https://github.com/deepmodeling/AI4Science101 @@ -444,7 +444,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.6K git clone https://github.com/deepmodeling/ADMP ```
-
DeepH-pack (🥉4 · ⭐ 12 · 💤) - Deep neural networks for density functional theory Hamiltonian. LGPL-3.0 +
DeepH-pack (🥉4 · ⭐ 14 · 💤) - 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): diff --git a/history/2026-01-22_changes.md b/history/2026-01-22_changes.md new file mode 100644 index 0000000..d6bd67b --- /dev/null +++ b/history/2026-01-22_changes.md @@ -0,0 +1,14 @@ +## 📈 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 · ⭐ 1.9K · 📈) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 +- dflow (🥈18 · ⭐ 79 · 📈) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. 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._ + +- JAX-FEM (🥈14 · ⭐ 560 · 📉) - Differentiable Finite Element Method with JAX. GPL-3.0 +- fpop (🥉8 · ⭐ 3 · 💤) - LGPL-3.0 + diff --git a/history/2026-01-22_projects.csv b/history/2026-01-22_projects.csv new file mode 100644 index 0000000..e3e0f85 --- /dev/null +++ b/history/2026-01-22_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 15:23:44,2026-01-22 10:57:03.000000,2026-01-21 09:19:56,3508,88.0,562.0,46.0,2652.0,88.0,866.0,1857,2025-12-12 10:39:16,3.1.2,66989.0,53428.0,60.0,A deep learning package for many-body potential energy representation and molecular dynamics.,45.0,45.0,84.0,https://pypi.org/project/deepmd-kit,8995.0,https://anaconda.org/conda-forge/deepmd-kit,2025-12-22 15:13:08.094,2478066.0,https://www.npmjs.com/package/deepmd-kit,4.0,https://hub.docker.com/r/deepmodeling/deepmd-kit,2025-12-27 02:37:19.399002,1.0,4920.0,30,True,others,1,1.0 +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 04:04:52,2026-01-21 02:54:01.000000,2026-01-21 02:54:01,7593,120.0,150.0,8.0,4261.0,192.0,2275.0,241,2026-01-18 06:11:42,3.9.0.23,,19216.0,88.0,An electronic structure package based on either plane wave basis or numerical atomic orbitals.,,,138.0,,,https://anaconda.org/conda-forge/abacus,2025-12-20 09:51:19.492,576488.0,,,,,,,25,True,others,1, +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 11:43:56,2026-01-20 00:34:07.000000,2026-01-20 00:34:05,2233,14.0,178.0,10.0,946.0,35.0,298.0,375,2025-08-07 07:42:12,0.13.2,2075.0,1343.0,21.0,The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field.,8.0,8.0,73.0,https://pypi.org/project/dpgen,597.0,https://anaconda.org/conda-forge/dpgen,2025-08-07 18:05:24.933,48167.0,,,,,,,24,True,others,1, +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 13:24:23,2026-01-20 00:34:03.000000,2026-01-20 00:34:01,887,12.0,145.0,5.0,643.0,27.0,103.0,242,2025-10-21 07:55:49,1.0.0,,43640.0,42.0,A Python package for manipulating atomistic data of software in computational science.,153.0,153.0,68.0,https://pypi.org/project/dpdata,41818.0,https://anaconda.org/conda-forge/dpdata,2025-10-21 10:00:11.600,117961.0,,,https://hub.docker.com/r/dptechnology/dpdata,2023-06-02 09:30:14.674068,,700.0,24,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 05:14:37,2026-01-19 20:51:25.000000,2025-12-21 15:57:53,1133,8.0,56.0,4.0,440.0,18.0,79.0,54,2025-11-11 01:28:31,1.0.0,,5837.0,53.0,generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish.,69.0,69.0,48.0,https://pypi.org/project/dpdispatcher,2547.0,https://anaconda.org/conda-forge/dpdispatcher,2025-11-11 15:58:45.631,38421.0,,,https://hub.docker.com/r/dptechnology/dpdispatcher,2025-11-11 01:33:15.628472,,142156.0,22,True,others,2, +5,reacnetgenerator,deepmodeling/reacnetgenerator,reacnetgenerator,conda-forge/reacnetgenerator,,,https://github.com/deepmodeling/reacnetgenerator,https://github.com/deepmodeling/reacnetgenerator,LGPL-3.0,2018-04-06 15:07:56,2026-01-22 08:50:45.000000,2026-01-22 08:47:46,2547,3.0,42.0,5.0,2254.0,7.0,124.0,95,2025-01-05 07:30:15,1.6.15,,12537.0,100.0,an automatic reaction network generator for reactive molecular dynamics simulation.,3.0,3.0,19.0,https://pypi.org/project/reacnetgenerator,1905.0,https://anaconda.org/conda-forge/reacnetgenerator,2025-11-11 16:14:11.843,722983.0,,,,,,,19,True,others,2, +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 08:14:36,2026-01-21 07:08:16.591515,2026-01-21 07:05:50,2277,4.0,29.0,,914.0,13.0,23.0,79,2026-01-21 07:06:16,1.8.133,,355.0,100.0,Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows)..,,,23.0,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,,17057.0,18,True,others,2,1.0 +7,DeePTB,deepmodeling/DeePTB,dptb,,,,https://github.com/deepmodeling/DeePTB,https://github.com/deepmodeling/DeePTB,LGPL-3.0,2023-07-11 03:19:42,2026-01-11 02:07:20.000000,2026-01-11 02:06:23,831,30.0,26.0,2.0,242.0,19.0,39.0,99,2025-05-07 14:02:40,2.2.0,,207.0,12.0,DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.,4.0,4.0,14.0,https://pypi.org/project/dptb,207.0,,,,,,,,,,16,True,others,2, +8,DPGEN2,deepmodeling/dpgen2,dpgen2,,,dptechnology/dpgen2,https://github.com/deepmodeling/dpgen2,https://github.com/deepmodeling/dpgen2,LGPL-3.0,2022-02-28 02:41:16,2025-12-02 00:42:11.214113,2025-12-02 00:40:35,348,4.0,36.0,5.0,270.0,18.0,28.0,40,2023-01-28 03:43:25,0.0.7,,191.0,7.0,2nd generation of the Deep Potential GENerator.,6.0,6.0,19.0,https://pypi.org/project/dpgen2,102.0,,,,,,https://hub.docker.com/r/dptechnology/dpgen2,2025-12-02 00:42:11.214113,,4221.0,16,True,others,2, +9,dargs,deepmodeling/dargs,dargs,conda-forge/dargs,,,https://github.com/deepmodeling/dargs,https://github.com/deepmodeling/dargs,LGPL-3.0,2020-09-19 22:20:28,2026-01-19 20:51:19.000000,2025-12-17 08:38:39,166,2.0,3.0,4.0,84.0,2.0,7.0,6,2024-11-21 03:25:26,0.4.10,,52636.0,31.0,Argument processing for the deep modeling project.,154.0,154.0,7.0,https://pypi.org/project/dargs,51606.0,https://anaconda.org/conda-forge/dargs,2025-04-22 14:57:50.542,58713.0,,,,,,,16,True,others,2, +10,DeepFlame,deepmodeling/deepflame-dev,,,,,https://github.com/deepmodeling/deepflame-dev,https://github.com/deepmodeling/deepflame-dev,GPL-3.0,2022-06-12 10:25:12,2026-01-13 07:47:02.000000,2026-01-13 07:29:50,1178,2.0,72.0,6.0,512.0,27.0,35.0,199,2025-06-26 04:29:15,1.6.0,,,22.0,A deep learning empowered open-source platform for reacting flow simulations.,,,29.0,,,,,,,,,,,,15,True,others,2, +11,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 15:20:54,2025-11-13 10:57:46.000000,2025-11-13 10:56:33,272,2.0,92.0,13.0,13.0,24.0,45.0,564,,,,372.0,,Differentiable Finite Element Method with JAX.,3.0,3.0,17.0,https://pypi.org/project/jax-fem,372.0,,,,,,,,,,14,True,others,2,-1.0 +12,DMFF,deepmodeling/DMFF,,conda-forge/dmff,,,https://github.com/deepmodeling/DMFF,https://github.com/deepmodeling/DMFF,LGPL-3.0,2022-02-14 01:35:50,2026-01-15 00:09:26.000000,2025-08-06 00:16:18,438,,47.0,8.0,181.0,8.0,20.0,186,2023-11-09 14:32:37,1.0.0,,119.0,4.0,DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable..,,,17.0,,,https://anaconda.org/conda-forge/dmff,2025-04-22 14:58:55.028,2856.0,,,,,,,14,True,others,2, +13,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,,24.0,6.0,88.0,1.0,9.0,42,2024-05-06 10:01:52,1.2.0,,316.0,4.0,APEX: Alloy Properties EXplorer using simulations.,4.0,4.0,7.0,https://pypi.org/project/apex-flow,316.0,,,,,,,,,,14,True,others,2, +14,DP-GUI,deepmodeling/dpgui,dpgui,,,,https://github.com/deepmodeling/dpgui,https://github.com/deepmodeling/dpgui,LGPL-3.0,2021-07-21 18:48:23,2026-01-19 20:51:40.000000,2025-08-26 11:26:26,326,,5.0,5.0,554.0,,1.0,8,2024-11-17 07:05:49,1.0.1.post0,,39318.0,5.0,A web-based GUI for user inputs.,13.0,13.0,4.0,https://pypi.org/project/dpgui,39318.0,,,,,,,,,,14,True,others,2, +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,,24.0,3.0,21.0,2.0,3.0,51,2024-05-14 03:25:35,0.6.4,148.0,127.0,5.0,Reinforced dynamics.,2.0,2.0,14.0,https://pypi.org/project/rid-kit,125.0,,,,,,,,,,12,True,others,3, +16,GPUMD,deepmodeling/GPUMD,,,,,https://github.com/deepmodeling/GPUMD,https://github.com/deepmodeling/GPUMD,GPL-3.0,2024-06-18 05:40:21,2026-01-18 19:14:54.000000,2026-01-18 14:32:00,6173,238.0,,,,,,11,,,,,,Graphics Processing Units Molecular Dynamics.,,,56.0,,,,,,,,,,,,12,True,others,3, +17,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 00:19:06,2026-01-19 20:51:25.000000,2025-11-12 10:16:02,81,3.0,6.0,4.0,75.0,,1.0,3,2025-11-12 10:16:41,0.3.2,,1389.0,26.0,Sphinx extension for DeepModeling projects.,,,8.0,https://pypi.org/project/deepmodeling_sphinx,1389.0,,,,,,,,,,12,True,others,3, +18,dpti,deepmodeling/dpti,dpti,,,,https://github.com/deepmodeling/dpti,https://github.com/deepmodeling/dpti,LGPL-3.0,2021-04-04 13:57:37,2026-01-19 20:54:02.000000,2025-03-15 19:50:12,432,,22.0,5.0,86.0,9.0,1.0,30,,,,29.0,,A Python Package to Automate Thermodynamic Integration Calculations for Free Energy.,2.0,2.0,17.0,https://pypi.org/project/dpti,29.0,,,,,,,,,,10,True,others,3, +19,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,,,,827.0,,Finite Element Analysis Library in Python.,,,69.0,https://pypi.org/project/fealpy,827.0,,,,,,,,,,10,True,others,3, +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,,36.0,12.0,47.0,14.0,17.0,117,,,,,,a package for developing machine learning-based chemically accurate energy and density functional models.,,,7.0,,,,,,,,,,,,9,True,others,3, +21,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 02:14:41,179,11.0,23.0,9.0,56.0,,2.0,90,,,,,,DeepModeling community content.,,,20.0,,,,,,,,,,,,9,True,others,3, +22,AIS-Square,deepmodeling/AIS-Square,,,,,https://github.com/deepmodeling/AIS-Square,https://github.com/deepmodeling/AIS-Square,LGPL-3.0,2022-09-13 09:52:30,2026-01-19 13:06:13.000000,2026-01-19 13:06:13,1260,72.0,8.0,7.0,211.0,5.0,1.0,15,,,,,,,,,8.0,,,,,,,,,,,,9,True,others,3, +23,Blog,deepmodeling/blog,,,,,https://github.com/deepmodeling/blog,https://github.com/deepmodeling/blog,LGPL-3.0,2021-06-10 23:11:55,2026-01-22 07:10:39.000000,2026-01-22 07:10:37,387,13.0,9.0,5.0,340.0,,,3,,,,,,DeepModeling Blog.,,,11.0,,,,,,,,,,,,9,True,others,3, +24,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,,12.0,8.0,25.0,4.0,,3,,,,99.0,,,15.0,15.0,4.0,https://pypi.org/project/fpop,99.0,,,,,,,,,,8,True,others,3,-1.0 +25,args,deepmodeling/args,,,@deepmodeling/args,,https://github.com/deepmodeling/args,https://github.com/deepmodeling/args,LGPL-3.0,2021-12-27 03:27:24,2025-12-15 15:39:24.000000,2025-12-15 15:39:22,88,2.0,2.0,4.0,69.0,,,2,2025-03-06 02:44:56,0.1.1,,34.0,18.0,DeepModeling dargs arguments generation.,5.0,5.0,3.0,,,,,,https://www.npmjs.com/package/@deepmodeling/args,34.0,,,,,8,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,,19.0,4.0,2.0,,1.0,93,,,,24.0,,,,,3.0,,,,,,,,https://hub.docker.com/r/dptechnology/unifold,2024-01-08 06:24:09.367953,,1211.0,7,True,others,3, +27,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,,23.0,4.0,68.0,1.0,3.0,15,,,,,,Tutorials for DeepModeling projects.,,,12.0,,,,,,,,,,,,6,True,others,3, +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,,6.0,8.0,2.0,3.0,,14,2024-03-01 09:33:35,1.6,,,1.0,Repository of TBPLaS (tight-binding package for large-scale simulation).,,,10.0,,,,,,,,,,,,6,True,others,3, +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,,7.0,4.0,24.0,,,3,,,,,,The home page of DeepModeling documentation.,,,8.0,,,,,,,,,,,,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,,16.0,8.0,29.0,,1.0,99,,,,,,AI for Science.,,,5.0,,,,,,,,,,,,5,True,others,3, +31,DeePDih,deepmodeling/DeePDih,,,,,https://github.com/deepmodeling/DeePDih,https://github.com/deepmodeling/DeePDih,MIT,2024-03-03 13:22:19,2025-08-05 23:30:28.000000,2025-08-05 23:30:28,63,,3.0,2.0,,,,6,2024-12-21 09:53:32,dpa-2-gfn2-xtb-tblite,6.0,0.0,1.0,Deep Potential driven molecular dihedral scan toolkit.,,,,,,,,,,,,,,,5,True,others,3, +32,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.,,,7.0,,,,,,,,,,,,5,True,others,3, +33,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.,,,6.0,,,,,,,,,,,,4,True,others,3, +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,,8.0,4.0,14.0,,,6,,,,,,,,,4.0,,,,,,,,,,,,4,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,,,,,,,,,3.0,,,,,,,,,,,,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,,,,,,,,,2.0,,,,,,,,,,,,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,,2.0,3.0,1.0,,1.0,1,,,,,,,,,2.0,,,,,,,,,,,,-1,True,others,3, diff --git a/latest-changes.md b/latest-changes.md index eb35789..d6bd67b 100644 --- a/latest-changes.md +++ b/latest-changes.md @@ -2,14 +2,13 @@ _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._ -- ABACUS (🥇25 · ⭐ 240 · 📈) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 -- reacnetgenerator (🥈19 · ⭐ 95 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 -- AIS-Square (🥉9 · ⭐ 15 · 📈) - LGPL-3.0 +- DeePMD-kit (🥇30 · ⭐ 1.9K · 📈) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 +- dflow (🥈18 · ⭐ 79 · 📈) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. 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._ -- dpdispatcher (🥈22 · ⭐ 53 · 📉) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 -- DeepFlame (🥈15 · ⭐ 200 · 📉) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 +- JAX-FEM (🥈14 · ⭐ 560 · 📉) - Differentiable Finite Element Method with JAX. GPL-3.0 +- fpop (🥉8 · ⭐ 3 · 💤) - LGPL-3.0