diff --git a/README.md b/README.md index 04ed11f..f4123c7 100644 --- a/README.md +++ b/README.md @@ -15,7 +15,7 @@

-This curated list contains 38 awesome open-source projects with a total of 4.3K 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 4.4K 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). @@ -44,9 +44,9 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K Back to top -
DeePMD-kit (🥇29 · ⭐ 1.7K) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 +
DeePMD-kit (🥇29 · ⭐ 1.8K) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 83 · 🔀 550 · 📥 60K · 📦 38 · 📋 920 - 9% open · ⏱️ 09.09.2025): +- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 83 · 🔀 550 · 📥 61K · 📦 38 · 📋 920 - 8% open · ⏱️ 18.09.2025): ``` git clone https://github.com/deepmodeling/deepmd-kit @@ -55,7 +55,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K ``` pip install deepmd-kit ``` -- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.1M · ⏱️ 11.06.2025): +- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.1M · ⏱️ 12.09.2025): ``` conda install -c conda-forge deepmd-kit ``` @@ -63,19 +63,19 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K ``` npm install deepmd-kit ``` -- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 4.1K · ⭐ 1 · ⏱️ 12.06.2025): +- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 4.2K · ⭐ 1 · ⏱️ 12.06.2025): ``` docker pull deepmodeling/deepmd-kit ```
DP-GEN (🥇24 · ⭐ 360) - 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) (👨‍💻 72 · 🔀 180 · 📥 2K · 📦 8 · 📋 330 - 9% open · ⏱️ 10.09.2025): +- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 72 · 🔀 180 · 📥 2K · 📦 8 · 📋 330 - 9% open · ⏱️ 18.09.2025): ``` git clone https://github.com/deepmodeling/dpgen ``` -- [PyPi](https://pypi.org/project/dpgen) (📥 730 / month): +- [PyPi](https://pypi.org/project/dpgen) (📥 920 / month): ``` pip install dpgen ``` @@ -86,12 +86,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
dpdata (🥇24 · ⭐ 220) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 67 · 🔀 140 · 📦 150 · 📋 130 - 21% open · ⏱️ 10.09.2025): +- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 67 · 🔀 140 · 📦 150 · 📋 130 - 20% open · ⏱️ 18.09.2025): ``` git clone https://github.com/deepmodeling/dpdata ``` -- [PyPi](https://pypi.org/project/dpdata) (📥 22K / month): +- [PyPi](https://pypi.org/project/dpdata) (📥 24K / month): ``` pip install dpdata ``` @@ -106,7 +106,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
ABACUS (🥇24 · ⭐ 210) - 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 · 📋 2.4K - 6% open · ⏱️ 11.09.2025): +- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.3K - 6% open · ⏱️ 17.09.2025): ``` git clone https://github.com/deepmodeling/abacus-develop @@ -116,14 +116,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K conda install -c conda-forge abacus ```
-
dpdispatcher (🥈23 · ⭐ 52) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 +
dpdispatcher (🥇24 · ⭐ 52 · 📈) - 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 · 📋 94 - 19% open · ⏱️ 07.09.2025): +- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 48 · 🔀 56 · 📦 69 · 📋 95 - 18% open · ⏱️ 18.09.2025): ``` git clone https://github.com/deepmodeling/dpdispatcher ``` -- [PyPi](https://pypi.org/project/dpdispatcher) (📥 3.9K / month): +- [PyPi](https://pypi.org/project/dpdispatcher) (📥 5.3K / month): ``` pip install dpdispatcher ``` @@ -136,14 +136,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K docker pull dptechnology/dpdispatcher ```
-
reacnetgenerator (🥈20 · ⭐ 91) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +
reacnetgenerator (🥈19 · ⭐ 92 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 40 · 📦 3 · 📋 130 - 5% open · ⏱️ 26.08.2025): +- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 41 · 📦 3 · 📋 130 - 5% open · ⏱️ 26.08.2025): ``` git clone https://github.com/deepmodeling/reacnetgenerator ``` -- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 730 / month): +- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 560 / month): ``` pip install reacnetgenerator ``` @@ -152,29 +152,21 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K conda install -c conda-forge reacnetgenerator ```
-
DeepFlame (🥈18 · ⭐ 190) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 +
DeePTB (🥈18 · ⭐ 85) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 29 · 🔀 70 · 📋 56 - 42% open · ⏱️ 23.07.2025): - - ``` - git clone https://github.com/deepmodeling/deepflame-dev - ``` -
-
DeePTB (🥈18 · ⭐ 85 · 📈) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 - -- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 12 · 🔀 22 · 📦 4 · 📋 51 - 33% open · ⏱️ 01.09.2025): +- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 12 · 🔀 23 · 📦 4 · 📋 51 - 33% open · ⏱️ 01.09.2025): ``` git clone https://github.com/deepmodeling/DeePTB ``` -- [PyPi](https://pypi.org/project/dptb) (📥 170 / month): +- [PyPi](https://pypi.org/project/dptb) (📥 200 / month): ``` pip install dptb ```
-
dflow (🥈18 · ⭐ 73 · 📉) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 +
dflow (🥈18 · ⭐ 73) - 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 · 🔀 28 · 📋 36 - 38% open · ⏱️ 25.08.2025): +- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 29 · 📋 36 - 38% open · ⏱️ 16.09.2025): ``` git clone https://github.com/deepmodeling/dflow @@ -187,19 +179,27 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K ``` conda install -c conda-forge dflow ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 15K · ⏱️ 25.08.2025): +- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 15K · ⏱️ 16.09.2025): ``` docker pull dptechnology/dflow ```
-
JAX-FEM (🥈16 · ⭐ 490 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0 +
DeepFlame (🥈17 · ⭐ 190 · 📉) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 + +- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 29 · 🔀 70 · 📋 56 - 42% open · ⏱️ 23.07.2025): + + ``` + git clone https://github.com/deepmodeling/deepflame-dev + ``` +
+
JAX-FEM (🥈16 · ⭐ 490) - Differentiable Finite Element Method with JAX. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 15 · 🔀 79 · 📦 3 · 📋 61 - 54% open · ⏱️ 03.09.2025): +- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 15 · 🔀 80 · 📦 3 · 📋 61 - 54% open · ⏱️ 03.09.2025): ``` git clone https://github.com/deepmodeling/jax-fem ``` -- [PyPi](https://pypi.org/project/jax-fem) (📥 440 / month): +- [PyPi](https://pypi.org/project/jax-fem) (📥 430 / month): ``` pip install jax-fem ``` @@ -211,7 +211,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K ``` git clone https://github.com/deepmodeling/dpgen2 ``` -- [PyPi](https://pypi.org/project/dpgen2) (📥 56 / month): +- [PyPi](https://pypi.org/project/dpgen2) (📥 69 / month): ``` pip install dpgen2 ``` @@ -243,7 +243,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K ``` git clone https://github.com/deepmodeling/APEX ``` -- [PyPi](https://pypi.org/project/apex-flow) (📥 300 / month): +- [PyPi](https://pypi.org/project/apex-flow) (📥 330 / month): ``` pip install apex-flow ``` @@ -260,14 +260,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K conda install -c conda-forge dmff ```
-
DP-GUI (🥈13 · ⭐ 8 · 📈) - A web-based GUI for user inputs. LGPL-3.0 +
DP-GUI (🥈13 · ⭐ 8) - A web-based GUI for user inputs. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 13 · ⏱️ 26.08.2025): ``` git clone https://github.com/deepmodeling/dpgui ``` -- [PyPi](https://pypi.org/project/dpgui) (📥 22K / month): +- [PyPi](https://pypi.org/project/dpgui) (📥 19K / month): ``` pip install dpgui ``` @@ -279,12 +279,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K ``` git clone https://github.com/deepmodeling/rid-kit ``` -- [PyPi](https://pypi.org/project/rid-kit) (📥 33 / month): +- [PyPi](https://pypi.org/project/rid-kit) (📥 27 / month): ``` pip install rid-kit ```
-
GPUMD (🥉11 · ⭐ 9 · 📈) - Graphics Processing Units Molecular Dynamics. GPL-3.0 +
GPUMD (🥉11 · ⭐ 9) - Graphics Processing Units Molecular Dynamics. GPL-3.0 - [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 53 · ⏱️ 10.09.2025): @@ -299,17 +299,21 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K ``` git clone https://github.com/deepmodeling/deepmodeling_sphinx ``` -- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2K / month): +- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.1K / month): ``` pip install deepmodeling_sphinx ```
-
Blog (🥉10 · ⭐ 3) - DeepModeling Blog. LGPL-3.0 +
fealpy (🥉10 · ⭐ 6 · 📈) - Finite Element Analysis Library in Python. Unlicensed -- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 11.08.2025): +- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025): ``` - git clone https://github.com/deepmodeling/blog + git clone https://github.com/deepmodeling/fealpy + ``` +- [PyPi](https://pypi.org/project/fealpy) (📥 1.1K / month): + ``` + pip install fealpy ```
fpop (🥉10 · ⭐ 3 · 💤) - LGPL-3.0 @@ -319,7 +323,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K ``` git clone https://github.com/deepmodeling/fpop ``` -- [PyPi](https://pypi.org/project/fpop) (📥 1.1K / month): +- [PyPi](https://pypi.org/project/fpop) (📥 1.7K / month): ``` pip install fpop ``` @@ -334,25 +338,21 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K
AIS-Square (🥉9 · ⭐ 13) - LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 08.09.2025): +- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 15.09.2025): ``` git clone https://github.com/deepmodeling/AIS-Square ```
-
fealpy (🥉9 · ⭐ 6) - Finite Element Analysis Library in Python. Unlicensed +
Blog (🥉9 · ⭐ 3 · 📉) - DeepModeling Blog. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025): +- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 11.08.2025): ``` - git clone https://github.com/deepmodeling/fealpy - ``` -- [PyPi](https://pypi.org/project/fealpy) (📥 260 / month): - ``` - pip install fealpy + git clone https://github.com/deepmodeling/blog ```
-
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 · ⏱️ 12.08.2025): @@ -371,7 +371,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K ``` git clone https://github.com/deepmodeling/dpti ``` -- [PyPi](https://pypi.org/project/dpti) (📥 14 / month): +- [PyPi](https://pypi.org/project/dpti) (📥 17 / month): ``` pip install dpti ``` @@ -388,9 +388,9 @@ This curated list contains 38 awesome open-source projects with a total of 4.3K docker pull dptechnology/unifold ```
-
community (🥉7 · ⭐ 88 · 📉) - DeepModeling community content. Unlicensed +
community (🥉7 · ⭐ 89) - DeepModeling community content. Unlicensed -- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 19 · 🔀 23 · ⏱️ 12.06.2025): +- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 19 · 🔀 24 · ⏱️ 12.06.2025): ``` git clone https://github.com/deepmodeling/community diff --git a/history/2025-09-18_changes.md b/history/2025-09-18_changes.md new file mode 100644 index 0000000..27b9e24 --- /dev/null +++ b/history/2025-09-18_changes.md @@ -0,0 +1,15 @@ +## 📈 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._ + +- dpdispatcher (🥇24 · ⭐ 52 · 📈) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 +- fealpy (🥉10 · ⭐ 6 · 📈) - Finite Element Analysis Library in Python. Unlicensed + +## 📉 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._ + +- reacnetgenerator (🥈19 · ⭐ 92 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +- DeepFlame (🥈17 · ⭐ 190 · 📉) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 +- Blog (🥉9 · ⭐ 3 · 📉) - DeepModeling Blog. LGPL-3.0 + diff --git a/history/2025-09-18_projects.csv b/history/2025-09-18_projects.csv new file mode 100644 index 0000000..42dd1a8 --- /dev/null +++ b/history/2025-09-18_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 15:23:44,2025-09-18 16:01:05.000000,2025-09-18 13:05:09,3403,80.0,549.0,46.0,2531.0,78.0,845.0,1753,2025-06-11 06:01:47,3.1.0,60524.0,45392.0,58.0,A deep learning package for many-body potential energy representation and molecular dynamics.,38.0,38.0,83.0,https://pypi.org/project/deepmd-kit,4013.0,https://anaconda.org/conda-forge/deepmd-kit,2025-09-12 15:50:54.085,2144691.0,https://www.npmjs.com/package/deepmd-kit,5.0,https://hub.docker.com/r/deepmodeling/deepmd-kit,2025-06-12 14:06:06.712335,1.0,4231.0,29,True,others,1.0, +1,DP-GEN,deepmodeling/dpgen,dpgen,conda-forge/dpgen,,,https://github.com/deepmodeling/dpgen,https://github.com/deepmodeling/dpgen,LGPL-3.0,2019-06-13 11:43:56,2025-09-18 11:14:29.000000,2025-09-18 05:44:15,2213,27.0,178.0,11.0,927.0,32.0,296.0,357,2025-08-07 07:42:12,0.13.2,1984.0,1646.0,21.0,The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field.,8.0,8.0,72.0,https://pypi.org/project/dpgen,916.0,https://anaconda.org/conda-forge/dpgen,2025-08-07 18:05:24.933,44260.0,,,,,,,24,True,others,1.0, +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 13:24:23,2025-09-18 05:45:59.000000,2025-09-18 05:45:57,865,41.0,143.0,6.0,619.0,26.0,101.0,219,2025-08-03 10:54:49,0.2.25,,25956.0,41.0,A Python package for manipulating atomistic data of software in computational science.,147.0,147.0,67.0,https://pypi.org/project/dpdata,24173.0,https://anaconda.org/conda-forge/dpdata,2025-08-03 16:36:05.688,108312.0,,,https://hub.docker.com/r/dptechnology/dpdata,2023-06-02 09:30:14.674068,,649.0,24,True,others,1.0, +3,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 04:04:52,2025-09-17 02:17:03.000000,2025-09-17 02:17:03,7411,107.0,144.0,10.0,4016.0,150.0,2195.0,212,2025-09-12 09:32:32,3.9.0.14,,18608.0,78.0,An electronic structure package based on either plane wave basis or numerical atomic orbitals.,,,130.0,,,https://anaconda.org/conda-forge/abacus,2025-04-22 14:58:45.321,483818.0,,,,,,,24,True,others,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 05:14:37,2025-09-18 05:46:58.000000,2025-09-18 05:46:57,1123,19.0,56.0,5.0,429.0,18.0,77.0,52,2025-08-12 11:36:14,0.6.11,,8568.0,51.0,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,5335.0,https://anaconda.org/conda-forge/dpdispatcher,2025-08-12 16:38:13.635,32320.0,,,https://hub.docker.com/r/dptechnology/dpdispatcher,2025-08-12 11:39:59.707718,,133162.0,24,True,others,1.0,1.0 +5,reacnetgenerator,deepmodeling/reacnetgenerator,reacnetgenerator,conda-forge/reacnetgenerator,,,https://github.com/deepmodeling/reacnetgenerator,https://github.com/deepmodeling/reacnetgenerator,LGPL-3.0,2018-04-06 15:07:56,2025-09-15 20:16:02.000000,2025-08-26 11:40:49,2542,4.0,41.0,7.0,2239.0,7.0,124.0,92,2025-01-05 07:30:15,1.6.15,,10792.0,100.0,an automatic reaction network generator for reactive molecular dynamics simulation.,3.0,3.0,19.0,https://pypi.org/project/reacnetgenerator,565.0,https://anaconda.org/conda-forge/reacnetgenerator,2025-04-22 14:57:18.750,654534.0,,,,,,,19,True,others,2.0,-1.0 +6,DeePTB,deepmodeling/DeePTB,dptb,,,,https://github.com/deepmodeling/DeePTB,https://github.com/deepmodeling/DeePTB,LGPL-3.0,2023-07-11 03:19:42,2025-09-08 21:06:52.000000,2025-09-01 13:58:12,800,12.0,23.0,3.0,219.0,17.0,34.0,85,2025-05-07 14:02:40,2.2.0,,204.0,12.0,DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.,4.0,4.0,12.0,https://pypi.org/project/dptb,204.0,,,,,,,,,,18,True,others,2.0, +7,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 08:14:36,2025-09-16 09:18:58.911728,2025-09-16 09:16:14,2261,42.0,29.0,1.0,906.0,14.0,22.0,73,2025-08-25 06:36:38,1.8.128,,338.0,100.0,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,2025-09-16 09:18:58.911728,,14889.0,18,True,others,2.0, +8,DeepFlame,deepmodeling/deepflame-dev,,,,,https://github.com/deepmodeling/deepflame-dev,https://github.com/deepmodeling/deepflame-dev,GPL-3.0,2022-06-12 10:25:12,2025-07-23 10:53:06.000000,2025-07-23 10:47:26,1176,9.0,70.0,8.0,509.0,24.0,32.0,187,2025-06-26 04:29:15,1.6.0,,,22.0,A deep learning empowered open-source platform for reacting flow simulations.,,,29.0,,,,,,,,,,,,17,True,others,2.0,-1.0 +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 15:20:54,2025-09-03 10:46:44.000000,2025-09-03 10:44:28,254,41.0,80.0,12.0,9.0,33.0,28.0,488,,,,426.0,,Differentiable Finite Element Method with JAX.,3.0,3.0,15.0,https://pypi.org/project/jax-fem,426.0,,,,,,,,,,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 02:41:16,2025-09-10 04:19:20.181048,2025-09-10 04:17:42,343,8.0,35.0,6.0,265.0,16.0,28.0,40,2023-01-28 03:43:25,0.0.7,,164.0,7.0,2nd generation of the Deep Potential GENerator.,6.0,6.0,18.0,https://pypi.org/project/dpgen2,69.0,,,,,,https://hub.docker.com/r/dptechnology/dpgen2,2025-09-10 04:19:20.181048,,4115.0,16,True,others,2.0, +11,dargs,deepmodeling/dargs,dargs,conda-forge/dargs,,,https://github.com/deepmodeling/dargs,https://github.com/deepmodeling/dargs,LGPL-3.0,2020-09-19 22:20:28,2025-09-15 20:15:37.000000,2025-08-18 11:52:31,164,1.0,3.0,5.0,83.0,2.0,7.0,6,2024-11-21 03:25:26,0.4.10,,33231.0,31.0,Argument processing for the deep modeling project.,151.0,151.0,7.0,https://pypi.org/project/dargs,32252.0,https://anaconda.org/conda-forge/dargs,2025-04-22 14:57:50.542,51922.0,,,,,,,16,True,others,2.0, +12,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,,22.0,7.0,88.0,1.0,8.0,37,2024-05-06 10:01:52,1.2.0,,333.0,4.0,APEX: Alloy Properties EXplorer using simulations.,4.0,4.0,7.0,https://pypi.org/project/apex-flow,333.0,,,,,,,,,,14,True,others,2.0, +13,DMFF,deepmodeling/DMFF,,conda-forge/dmff,,,https://github.com/deepmodeling/DMFF,https://github.com/deepmodeling/DMFF,LGPL-3.0,2022-02-14 01:35:50,2025-09-13 02:27:07.000000,2025-08-06 00:16:18,438,2.0,47.0,9.0,177.0,9.0,19.0,179,2023-11-09 14:32:37,1.0.0,,122.0,4.0,DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable..,,,16.0,,,https://anaconda.org/conda-forge/dmff,2025-04-22 14:58:55.028,2441.0,,,,,,,13,True,others,2.0, +14,DP-GUI,deepmodeling/dpgui,dpgui,,,,https://github.com/deepmodeling/dpgui,https://github.com/deepmodeling/dpgui,LGPL-3.0,2021-07-21 18:48:23,2025-09-15 20:16:08.000000,2025-08-26 11:26:26,326,2.0,5.0,6.0,545.0,,1.0,8,2024-11-17 07:05:49,1.0.1.post0,,19404.0,5.0,A web-based GUI for user inputs.,13.0,13.0,4.0,https://pypi.org/project/dpgui,19404.0,,,,,,,,,,13,True,others,2.0, +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,,23.0,4.0,21.0,2.0,3.0,49,2024-05-14 03:25:35,0.6.4,148.0,30.0,5.0,Reinforced dynamics.,2.0,2.0,14.0,https://pypi.org/project/rid-kit,27.0,,,,,,,,,,12,True,others,3.0, +16,GPUMD,deepmodeling/GPUMD,,,,,https://github.com/deepmodeling/GPUMD,https://github.com/deepmodeling/GPUMD,GPL-3.0,2024-06-18 05:40:21,2025-09-11 17:28:17.000000,2025-09-10 06:23:41,5718,151.0,,,,,,9,,,,,,Graphics Processing Units Molecular Dynamics.,,,53.0,,,,,,,,,,,,11,True,others,3.0, +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 00:19:06,2025-09-15 20:15:42.000000,2025-08-26 03:37:58,78,1.0,6.0,5.0,72.0,,,3,2025-03-22 17:20:41,0.3.1,,2104.0,25.0,Sphinx extension for DeepModeling projects.,,,7.0,https://pypi.org/project/deepmodeling_sphinx,2104.0,,,,,,,,,,11,True,others,3.0, +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,,2.0,1.0,1.0,,,6,,,,1144.0,,Finite Element Analysis Library in Python.,,,69.0,https://pypi.org/project/fealpy,1144.0,,,,,,,,,,10,True,others,3.0,1.0 +19,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,,12.0,9.0,25.0,4.0,,3,,,,1721.0,,,15.0,15.0,4.0,https://pypi.org/project/fpop,1721.0,,,,,,,,,,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,,36.0,13.0,47.0,14.0,17.0,112,,,,,,a package for developing machine learning-based chemically accurate energy and density functional models.,,,7.0,,,,,,,,,,,,9,True,others,3.0, +21,AIS-Square,deepmodeling/AIS-Square,,,,,https://github.com/deepmodeling/AIS-Square,https://github.com/deepmodeling/AIS-Square,LGPL-3.0,2022-09-13 09:52:30,2025-09-15 15:33:34.000000,2025-09-15 15:33:34,1174,114.0,8.0,8.0,210.0,5.0,1.0,13,,,,,,,,,8.0,,,,,,,,,,,,9,True,others,3.0, +22,Blog,deepmodeling/blog,,,,,https://github.com/deepmodeling/blog,https://github.com/deepmodeling/blog,LGPL-3.0,2021-06-10 23:11:55,2025-09-04 21:02:35.000000,2025-08-11 02:37:51,370,27.0,9.0,6.0,320.0,,,3,,,,,,DeepModeling Blog.,,,10.0,,,,,,,,,,,,9,True,others,3.0,-1.0 +23,args,deepmodeling/args,,,@deepmodeling/args,,https://github.com/deepmodeling/args,https://github.com/deepmodeling/args,LGPL-3.0,2021-12-27 03:27:24,2025-09-08 15:23:12.000000,2025-08-12 05:43:10,86,3.0,2.0,5.0,63.0,,,2,2025-03-06 02:44:56,0.1.1,,135.0,18.0,DeepModeling dargs arguments generation.,5.0,5.0,3.0,,,,,,https://www.npmjs.com/package/@deepmodeling/args,135.0,,,,,9,True,others,3.0, +24,dpti,deepmodeling/dpti,dpti,,,,https://github.com/deepmodeling/dpti,https://github.com/deepmodeling/dpti,LGPL-3.0,2021-04-04 13:57:37,2025-09-15 20:16:31.000000,2025-03-15 19:50:12,432,,19.0,6.0,83.0,9.0,1.0,29,,,,17.0,,A Python Package to Automate Thermodynamic Integration Calculations for Free Energy.,2.0,2.0,17.0,https://pypi.org/project/dpti,17.0,,,,,,,,,,8,True,others,3.0, +25,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,,,,25.0,,,,,3.0,,,,,,,,https://hub.docker.com/r/dptechnology/unifold,2024-01-08 06:24:09.367953,,1152.0,7,True,others,3.0, +26,community,deepmodeling/community,,,,,https://github.com/deepmodeling/community,https://github.com/deepmodeling/community,,2021-05-06 04:50:02,2025-06-12 05:57:22.000000,2025-06-12 05:57:22,165,,24.0,10.0,51.0,,2.0,89,,,,,,DeepModeling community content.,,,19.0,,,,,,,,,,,,7,True,others,3.0, +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,,23.0,5.0,67.0,1.0,3.0,15,,,,,,Tutorials for DeepModeling projects.,,,12.0,,,,,,,,,,,,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,,12,2024-03-01 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,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, +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,,15.0,9.0,29.0,,1.0,97,,,,,,AI for Science.,,,5.0,,,,,,,,,,,,5,True,others,3.0, +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 23:30:28,63,2.0,3.0,2.0,,,,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,3.0, +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,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,,8.0,5.0,13.0,,,6,,,,,,,,,4.0,,,,,,,,,,,,4,True,others,3.0, +34,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, +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 3dbfe7a..27b9e24 100644 --- a/latest-changes.md +++ b/latest-changes.md @@ -2,17 +2,14 @@ _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 (🥈18 · ⭐ 85 · 📈) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 -- JAX-FEM (🥈16 · ⭐ 490 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0 -- DP-GUI (🥈13 · ⭐ 8 · 📈) - A web-based GUI for user inputs. LGPL-3.0 -- GPUMD (🥉11 · ⭐ 9 · 📈) - Graphics Processing Units Molecular Dynamics. GPL-3.0 -- fpop (🥉10 · ⭐ 3 · 💤) - LGPL-3.0 +- dpdispatcher (🥇24 · ⭐ 52 · 📈) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 +- fealpy (🥉10 · ⭐ 6 · 📈) - Finite Element Analysis Library in Python. Unlicensed ## 📉 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._ -- dflow (🥈18 · ⭐ 73 · 📉) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 -- args (🥉9 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. LGPL-3.0 -- community (🥉7 · ⭐ 88 · 📉) - DeepModeling community content. Unlicensed +- reacnetgenerator (🥈19 · ⭐ 92 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +- DeepFlame (🥈17 · ⭐ 190 · 📉) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 +- Blog (🥉9 · ⭐ 3 · 📉) - DeepModeling Blog. LGPL-3.0