diff --git a/README.md b/README.md index 494fb7c..b499f49 100644 --- a/README.md +++ b/README.md @@ -51,7 +51,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` git clone https://github.com/deepmodeling/deepmd-kit ``` -- [PyPi](https://pypi.org/project/deepmd-kit) (📥 11K / month): +- [PyPi](https://pypi.org/project/deepmd-kit) (📥 14K / month): ``` pip install deepmd-kit ``` @@ -59,35 +59,35 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` conda install -c conda-forge deepmd-kit ``` -- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 3 / month): +- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 23 / month): ``` npm install deepmd-kit ``` -- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 3.7K · ⭐ 1 · ⏱️ 12.06.2025): +- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 3.8K · ⭐ 1 · ⏱️ 12.06.2025): ``` docker pull deepmodeling/deepmd-kit ```
ABACUS (🥇24 · ⭐ 200) - 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 · 📋 2.3K - 5% open · ⏱️ 26.06.2025): +- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.3K - 5% open · ⏱️ 03.07.2025): ``` git clone https://github.com/deepmodeling/abacus-develop ``` -- [Conda](https://anaconda.org/conda-forge/abacus) (📥 430K · ⏱️ 22.04.2025): +- [Conda](https://anaconda.org/conda-forge/abacus) (📥 440K · ⏱️ 22.04.2025): ``` conda install -c conda-forge abacus ```
DP-GEN (🥇23 · ⭐ 350) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 69 · 🔀 170 · 📥 2K · 📦 8 · 📋 320 - 14% open · ⏱️ 21.02.2025): +- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 69 · 🔀 180 · 📥 2K · 📦 8 · 📋 320 - 14% open · ⏱️ 21.02.2025): ``` git clone https://github.com/deepmodeling/dpgen ``` -- [PyPi](https://pypi.org/project/dpgen) (📥 580 / month): +- [PyPi](https://pypi.org/project/dpgen) (📥 590 / month): ``` pip install dpgen ``` @@ -103,7 +103,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` git clone https://github.com/deepmodeling/dpdata ``` -- [PyPi](https://pypi.org/project/dpdata) (📥 26K / month): +- [PyPi](https://pypi.org/project/dpdata) (📥 27K / month): ``` pip install dpdata ``` @@ -116,22 +116,6 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K docker pull dptechnology/dpdata ```
-
reacnetgenerator (🥈21 · ⭐ 89 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 - -- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 41 · 📦 3 · 📋 130 - 5% open · ⏱️ 20.06.2025): - - ``` - git clone https://github.com/deepmodeling/reacnetgenerator - ``` -- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 1.8K / month): - ``` - pip install reacnetgenerator - ``` -- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 620K · ⏱️ 22.04.2025): - ``` - conda install -c conda-forge reacnetgenerator - ``` -
dpdispatcher (🥈21 · ⭐ 51) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 54 · 📦 65 · 📋 86 - 23% open · ⏱️ 24.06.2025): @@ -139,7 +123,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` git clone https://github.com/deepmodeling/dpdispatcher ``` -- [PyPi](https://pypi.org/project/dpdispatcher) (📥 1.5K / month): +- [PyPi](https://pypi.org/project/dpdispatcher) (📥 1.6K / month): ``` pip install dpdispatcher ``` @@ -152,9 +136,25 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K docker pull dptechnology/dpdispatcher ```
+
reacnetgenerator (🥈20 · ⭐ 89 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 + +- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 41 · 📦 3 · 📋 130 - 5% open · ⏱️ 20.06.2025): + + ``` + git clone https://github.com/deepmodeling/reacnetgenerator + ``` +- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2.2K / month): + ``` + pip install reacnetgenerator + ``` +- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 620K · ⏱️ 22.04.2025): + ``` + conda install -c conda-forge reacnetgenerator + ``` +
dflow (🥈19 · ⭐ 71) - 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 · ⏱️ 25.06.2025): +- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 28 · 📋 36 - 38% open · ⏱️ 01.07.2025): ``` git clone https://github.com/deepmodeling/dflow @@ -167,12 +167,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` conda install -c conda-forge dflow ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 12K · ⏱️ 25.06.2025): +- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 12K · ⏱️ 01.07.2025): ``` docker pull dptechnology/dflow ```
-
DeepFlame (🥈18 · ⭐ 170 · 📈) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 +
DeepFlame (🥈18 · ⭐ 180) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 - [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 28 · 🔀 69 · 📋 50 - 42% open · ⏱️ 26.06.2025): @@ -187,7 +187,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` git clone https://github.com/deepmodeling/dargs ``` -- [PyPi](https://pypi.org/project/dargs) (📥 44K / month): +- [PyPi](https://pypi.org/project/dargs) (📥 50K / month): ``` pip install dargs ``` @@ -198,12 +198,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
DeePTB (🥈16 · ⭐ 79) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 11 · 🔀 20 · 📦 4 · 📋 48 - 31% open · ⏱️ 09.06.2025): +- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 11 · 🔀 20 · 📦 4 · 📋 49 - 32% open · ⏱️ 30.06.2025): ``` git clone https://github.com/deepmodeling/DeePTB ``` -- [PyPi](https://pypi.org/project/dptb) (📥 88 / month): +- [PyPi](https://pypi.org/project/dptb) (📥 130 / month): ``` pip install dptb ``` @@ -215,7 +215,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` git clone https://github.com/deepmodeling/dpgen2 ``` -- [PyPi](https://pypi.org/project/dpgen2) (📥 80 / month): +- [PyPi](https://pypi.org/project/dpgen2) (📥 87 / month): ``` pip install dpgen2 ``` @@ -226,12 +226,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K
JAX-FEM (🥈15 · ⭐ 420) - Differentiable Finite Element Method with JAX. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 71 · 📦 3 · 📋 54 - 55% open · ⏱️ 31.05.2025): +- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 73 · 📦 3 · 📋 55 - 56% open · ⏱️ 31.05.2025): ``` git clone https://github.com/deepmodeling/jax-fem ``` -- [PyPi](https://pypi.org/project/jax-fem) (📥 360 / month): +- [PyPi](https://pypi.org/project/jax-fem) (📥 410 / month): ``` pip install jax-fem ``` @@ -243,12 +243,24 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` git clone https://github.com/deepmodeling/APEX ``` -- [PyPi](https://pypi.org/project/apex-flow) (📥 330 / month): +- [PyPi](https://pypi.org/project/apex-flow) (📥 310 / month): ``` pip install apex-flow ```
-
DMFF (🥈14 · ⭐ 180) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 +
DP-GUI (🥈14 · ⭐ 8) - A web-based GUI for user inputs. LGPL-3.0 + +- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 13 · ⏱️ 13.03.2025): + + ``` + git clone https://github.com/deepmodeling/dpgui + ``` +- [PyPi](https://pypi.org/project/dpgui) (📥 27K / month): + ``` + pip install dpgui + ``` +
+
DMFF (🥈13 · ⭐ 180 · 📉) - 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) (👨‍💻 14 · 🔀 46 · 📋 28 - 39% open · ⏱️ 10.04.2025): @@ -260,28 +272,28 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K conda install -c conda-forge dmff ```
-
DP-GUI (🥈14 · ⭐ 8) - A web-based GUI for user inputs. LGPL-3.0 +
deepmodeling_sphinx (🥈13 · ⭐ 3) - Sphinx extension for DeepModeling projects. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 13 · ⏱️ 13.03.2025): +- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 6 · ⏱️ 22.03.2025): ``` - git clone https://github.com/deepmodeling/dpgui + git clone https://github.com/deepmodeling/deepmodeling_sphinx ``` -- [PyPi](https://pypi.org/project/dpgui) (📥 25K / month): +- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.7K / month): ``` - pip install dpgui + pip install deepmodeling_sphinx ```
-
deepmodeling_sphinx (🥉13 · ⭐ 3 · 📈) - Sphinx extension for DeepModeling projects. LGPL-3.0 +
rid-kit (🥉12 · ⭐ 49 · 📈) - Reinforced dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 6 · ⏱️ 22.03.2025): +- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 23 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025): ``` - git clone https://github.com/deepmodeling/deepmodeling_sphinx + git clone https://github.com/deepmodeling/rid-kit ``` -- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.6K / month): +- [PyPi](https://pypi.org/project/rid-kit) (📥 63 / month): ``` - pip install deepmodeling_sphinx + pip install rid-kit ```
GPUMD (🥉12 · ⭐ 8) - Graphics Processing Units Molecular Dynamics. GPL-3.0 @@ -299,23 +311,11 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` git clone https://github.com/deepmodeling/fealpy ``` -- [PyPi](https://pypi.org/project/fealpy) (📥 440 / month): +- [PyPi](https://pypi.org/project/fealpy) (📥 560 / month): ``` pip install fealpy ```
-
rid-kit (🥉11 · ⭐ 49) - Reinforced dynamics. LGPL-3.0 - -- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 23 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025): - - ``` - git clone https://github.com/deepmodeling/rid-kit - ``` -- [PyPi](https://pypi.org/project/rid-kit) (📥 67 / month): - ``` - pip install rid-kit - ``` -
args (🥉11 · ⭐ 2) - DeepModeling dargs arguments generation. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 06.03.2025): @@ -323,17 +323,17 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` git clone https://github.com/deepmodeling/args ``` -- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 180 / month): +- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 210 / month): ``` npm install @deepmodeling/args ```
-
DeePKS-kit (🥉9 · ⭐ 110) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0 +
Blog (🥉10 · ⭐ 3 · 📈) - DeepModeling Blog. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 36 · 📋 30 - 43% open · ⏱️ 28.04.2025): +- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 03.07.2025): ``` - git clone https://github.com/deepmodeling/deepks-kit + git clone https://github.com/deepmodeling/blog ```
community (🥉9 · ⭐ 88) - DeepModeling community content. Unlicensed @@ -344,12 +344,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K git clone https://github.com/deepmodeling/community ```
-
Blog (🥉9 · ⭐ 2) - DeepModeling Blog. LGPL-3.0 +
DeePKS-kit (🥉8 · ⭐ 110 · 📉) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 10 · 🔀 9 · ⏱️ 24.06.2025): +- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 36 · 📋 30 - 43% open · ⏱️ 28.04.2025): ``` - git clone https://github.com/deepmodeling/blog + git clone https://github.com/deepmodeling/deepks-kit ```
dpti (🥉8 · ⭐ 29) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 @@ -359,14 +359,14 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` git clone https://github.com/deepmodeling/dpti ``` -- [PyPi](https://pypi.org/project/dpti) (📥 12 / month): +- [PyPi](https://pypi.org/project/dpti) (📥 14 / month): ``` pip install dpti ```
AIS-Square (🥉8 · ⭐ 13) - LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 19.06.2025): +- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 30.06.2025): ``` git clone https://github.com/deepmodeling/AIS-Square @@ -379,7 +379,7 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` git clone https://github.com/deepmodeling/fpop ``` -- [PyPi](https://pypi.org/project/fpop) (📥 450 / month): +- [PyPi](https://pypi.org/project/fpop) (📥 650 / month): ``` pip install fpop ``` @@ -391,12 +391,12 @@ This curated list contains 38 awesome open-source projects with a total of 4.2K ``` git clone https://github.com/deepmodeling/Uni-Fold ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 880 · ⏱️ 08.01.2024): +- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 910 · ⏱️ 08.01.2024): ``` docker pull dptechnology/unifold ```
-
tutorials (🥉7 · ⭐ 15) - Tutorials for DeepModeling projects. Unlicensed +
tutorials (🥉6 · ⭐ 15 · 📉) - Tutorials for DeepModeling projects. Unlicensed - [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 11 · 🔀 23 · ⏱️ 03.04.2025): diff --git a/history/2025-07-03_changes.md b/history/2025-07-03_changes.md new file mode 100644 index 0000000..ae8adf9 --- /dev/null +++ b/history/2025-07-03_changes.md @@ -0,0 +1,16 @@ +## 📈 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._ + +- rid-kit (🥉12 · ⭐ 49 · 📈) - Reinforced dynamics. LGPL-3.0 +- Blog (🥉10 · ⭐ 3 · 📈) - DeepModeling Blog. LGPL-3.0 + +## 📉 Trending Down + +_Projects that have a lower project-quality score compared to the last update. There might be a variety of reasons such as decreased downloads or code activity._ + +- reacnetgenerator (🥈20 · ⭐ 89 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +- DMFF (🥈13 · ⭐ 180 · 📉) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 +- DeePKS-kit (🥉8 · ⭐ 110 · 📉) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0 +- tutorials (🥉6 · ⭐ 15 · 📉) - Tutorials for DeepModeling projects. Unlicensed + diff --git a/history/2025-07-03_projects.csv b/history/2025-07-03_projects.csv new file mode 100644 index 0000000..fa628b5 --- /dev/null +++ b/history/2025-07-03_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 15:23:44,2025-07-03 03:03:41.000000,2025-06-11 05:53:58,3314,57.0,533.0,46.0,2435.0,86.0,812.0,1697,2025-06-11 06:01:47,3.1.0,55221.0,53991.0,58.0,A deep learning package for many-body potential energy representation and molecular dynamics.,34.0,34.0,79.0,https://pypi.org/project/deepmd-kit,14224.0,https://anaconda.org/conda-forge/deepmd-kit,2025-06-11 11:42:47.882,1983464.0,https://www.npmjs.com/package/deepmd-kit,23.0,https://hub.docker.com/r/deepmodeling/deepmd-kit,2025-06-12 14:06:06.712335,1.0,3773.0,29,True,others,1.0, +1,ABACUS,deepmodeling/abacus-develop,,conda-forge/abacus,,,https://github.com/deepmodeling/abacus-develop,https://github.com/deepmodeling/abacus-develop,LGPL-3.0,2021-02-01 04:04:52,2025-07-03 06:22:03.000000,2025-07-03 06:22:03,7326,131.0,143.0,10.0,3917.0,132.0,2169.0,202,2025-06-20 08:05:01,3.9.0.8,,18291.0,72.0,An electronic structure package based on either plane wave basis or numerical atomic orbitals.,,,128.0,,,https://anaconda.org/conda-forge/abacus,2025-04-22 14:58:45.321,438984.0,,,,,,,24,True,others,1.0, +2,DP-GEN,deepmodeling/dpgen,dpgen,conda-forge/dpgen,,,https://github.com/deepmodeling/dpgen,https://github.com/deepmodeling/dpgen,LGPL-3.0,2019-06-13 11:43:56,2025-07-03 00:08:03.000000,2025-02-21 06:05:03,2168,,175.0,10.0,895.0,47.0,277.0,347,2025-02-21 06:06:07,0.13.1,1959.0,1305.0,20.0,The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field.,8.0,8.0,69.0,https://pypi.org/project/dpgen,588.0,https://anaconda.org/conda-forge/dpgen,2025-04-22 14:57:10.509,42083.0,,,,,,,23,True,others,1.0, +3,dpdata,deepmodeling/dpdata,dpdata,conda-forge/dpdata,,dptechnology/dpdata,https://github.com/deepmodeling/dpdata,https://github.com/deepmodeling/dpdata,LGPL-3.0,2019-04-12 13:24:23,2025-07-03 00:07:46.000000,2025-03-20 03:30:40,813,,136.0,7.0,575.0,23.0,93.0,211,2025-03-20 03:31:32,0.2.24,,28974.0,40.0,A Python package for manipulating atomistic data of software in computational science.,143.0,143.0,62.0,https://pypi.org/project/dpdata,27224.0,https://anaconda.org/conda-forge/dpdata,2025-04-22 14:57:07.913,102826.0,,,https://hub.docker.com/r/dptechnology/dpdata,2023-06-02 09:30:14.674068,,645.0,23,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 05:14:37,2025-06-30 19:32:55.000000,2025-06-24 09:33:22,1105,2.0,54.0,5.0,411.0,20.0,66.0,51,2025-06-02 21:11:24,0.6.9,,4817.0,49.0,generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish.,65.0,65.0,46.0,https://pypi.org/project/dpdispatcher,1640.0,https://anaconda.org/conda-forge/dpdispatcher,2025-06-03 06:40:43.225,29175.0,,,https://hub.docker.com/r/dptechnology/dpdispatcher,2025-06-02 21:15:24.882385,,127598.0,21,True,others,2.0, +5,reacnetgenerator,deepmodeling/reacnetgenerator,reacnetgenerator,conda-forge/reacnetgenerator,,,https://github.com/deepmodeling/reacnetgenerator,https://github.com/deepmodeling/reacnetgenerator,LGPL-3.0,2018-04-06 15:07:56,2025-06-30 19:32:49.000000,2025-06-20 03:10:13,2538,15.0,41.0,7.0,2223.0,7.0,123.0,89,2025-01-05 07:30:15,1.6.15,,12257.0,100.0,an automatic reaction network generator for reactive molecular dynamics simulation.,3.0,3.0,19.0,https://pypi.org/project/reacnetgenerator,2249.0,https://anaconda.org/conda-forge/reacnetgenerator,2025-04-22 14:57:18.750,620505.0,,,,,,,20,True,others,2.0,-1.0 +6,dflow,deepmodeling/dflow,dflow,conda-forge/dflow,,dptechnology/dflow,https://github.com/deepmodeling/dflow,https://github.com/deepmodeling/dflow,LGPL-3.0,2022-01-21 08:14:36,2025-07-01 08:15:10.342576,2025-07-01 08:12:37,2235,60.0,28.0,1.0,894.0,14.0,22.0,71,2025-07-01 08:12:56,1.8.124,,295.0,100.0,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,2025-07-01 08:15:10.342576,,12422.0,19,True,others,2.0, +7,DeepFlame,deepmodeling/deepflame-dev,,,,,https://github.com/deepmodeling/deepflame-dev,https://github.com/deepmodeling/deepflame-dev,GPL-3.0,2022-06-12 10:25:12,2025-06-26 04:16:24.000000,2025-06-26 04:16:24,1165,24.0,69.0,8.0,509.0,21.0,29.0,176,2025-06-26 04:29:15,1.6.0,,,22.0,A deep learning empowered open-source platform for reacting flow simulations.,,,28.0,,,,,,,,,,,,18,True,others,2.0, +8,dargs,deepmodeling/dargs,dargs,conda-forge/dargs,,,https://github.com/deepmodeling/dargs,https://github.com/deepmodeling/dargs,LGPL-3.0,2020-09-19 22:20:28,2025-06-30 19:33:03.000000,2025-01-28 03:24:29,163,,3.0,5.0,81.0,2.0,7.0,6,2024-11-21 03:25:26,0.4.10,,51134.0,31.0,Argument processing for the deep modeling project.,147.0,147.0,7.0,https://pypi.org/project/dargs,50191.0,https://anaconda.org/conda-forge/dargs,2025-04-22 14:57:50.542,48113.0,,,,,,,17,True,others,2.0, +9,DeePTB,deepmodeling/DeePTB,dptb,,,,https://github.com/deepmodeling/DeePTB,https://github.com/deepmodeling/DeePTB,LGPL-3.0,2023-07-11 03:19:42,2025-06-30 16:44:53.000000,2025-06-30 16:44:06,790,19.0,20.0,3.0,209.0,16.0,33.0,79,2025-05-07 14:02:40,2.2.0,,134.0,12.0,DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.,4.0,4.0,11.0,https://pypi.org/project/dptb,134.0,,,,,,,,,,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 02:41:16,2025-06-13 06:01:38.319639,2025-06-13 06:00:05,335,5.0,33.0,6.0,253.0,12.0,23.0,40,2023-01-28 03:43:25,0.0.7,,183.0,7.0,2nd generation of the Deep Potential GENerator.,6.0,6.0,15.0,https://pypi.org/project/dpgen2,87.0,,,,,,https://hub.docker.com/r/dptechnology/dpgen2,2025-06-13 06:01:38.319639,,3942.0,16,True,others,2.0, +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 15:20:54,2025-05-31 08:33:13.000000,2025-05-31 08:33:09,213,3.0,73.0,12.0,7.0,31.0,24.0,425,,,,410.0,,Differentiable Finite Element Method with JAX.,3.0,3.0,10.0,https://pypi.org/project/jax-fem,410.0,,,,,,,,,,15,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 13:16:14,621,3.0,21.0,7.0,88.0,1.0,8.0,34,2024-05-06 10:01:52,1.2.0,,307.0,4.0,APEX: Alloy Properties EXplorer using simulations.,4.0,4.0,7.0,https://pypi.org/project/apex-flow,307.0,,,,,,,,,,15,True,others,2.0, +13,DP-GUI,deepmodeling/dpgui,dpgui,,,,https://github.com/deepmodeling/dpgui,https://github.com/deepmodeling/dpgui,LGPL-3.0,2021-07-21 18:48:23,2025-07-02 10:49:41.000000,2025-03-13 03:19:56,324,,5.0,6.0,531.0,,1.0,8,2024-11-17 07:05:49,1.0.1.post0,,27310.0,5.0,A web-based GUI for user inputs.,13.0,13.0,4.0,https://pypi.org/project/dpgui,27310.0,,,,,,,,,,14,True,others,2.0, +14,DMFF,deepmodeling/DMFF,,conda-forge/dmff,,,https://github.com/deepmodeling/DMFF,https://github.com/deepmodeling/DMFF,LGPL-3.0,2022-02-14 01:35:50,2025-04-22 14:58:55.028000,2025-04-10 05:17:05,434,3.0,46.0,9.0,167.0,11.0,17.0,175,2023-11-09 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..,,,14.0,,,https://anaconda.org/conda-forge/dmff,2025-04-22 14:58:55.028,2200.0,,,,,,,13,True,others,2.0,-1.0 +15,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 00:19:06,2025-06-30 19:32:36.000000,2025-03-22 17:20:16,77,,6.0,5.0,70.0,,,3,2025-03-22 17:20:41,0.3.1,,1749.0,25.0,Sphinx extension for DeepModeling projects.,,,7.0,https://pypi.org/project/deepmodeling_sphinx,1749.0,,,,,,,,,,13,True,others,2.0, +16,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 03:25:35,0.6.4,148.0,66.0,5.0,Reinforced dynamics.,2.0,2.0,14.0,https://pypi.org/project/rid-kit,63.0,,,,,,,,,,12,True,others,3.0,1.0 +17,GPUMD,deepmodeling/GPUMD,,,,,https://github.com/deepmodeling/GPUMD,https://github.com/deepmodeling/GPUMD,GPL-3.0,2024-06-18 05:40:21,2025-05-16 19:36:22.000000,2025-05-16 14:14:27,5460,413.0,,,,,,8,,,,,,Graphics Processing Units Molecular Dynamics.,,,49.0,,,,,,,,,,,,12,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 09:12:41,9611,43.0,2.0,1.0,1.0,,,6,,,,559.0,,Finite Element Analysis Library in Python.,,,69.0,https://pypi.org/project/fealpy,559.0,,,,,,,,,,12,True,others,3.0, +19,args,deepmodeling/args,,,@deepmodeling/args,,https://github.com/deepmodeling/args,https://github.com/deepmodeling/args,LGPL-3.0,2021-12-27 03:27:24,2025-06-16 16:57:53.000000,2025-03-06 02:44:30,83,,2.0,5.0,57.0,,,2,2025-03-06 02:44:56,0.1.1,,207.0,18.0,DeepModeling dargs arguments generation.,5.0,5.0,3.0,,,,,,https://www.npmjs.com/package/@deepmodeling/args,207.0,,,,,11,True,others,3.0, +20,Blog,deepmodeling/blog,,,,,https://github.com/deepmodeling/blog,https://github.com/deepmodeling/blog,LGPL-3.0,2021-06-10 23:11:55,2025-07-03 06:53:58.000000,2025-07-03 06:52:29,367,71.0,9.0,6.0,312.0,,,3,,,,,,DeepModeling Blog.,,,10.0,,,,,,,,,,,,10,True,others,3.0,1.0 +21,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 05:57:22,165,28.0,23.0,10.0,51.0,,2.0,88,,,,,,DeepModeling community content.,,,19.0,,,,,,,,,,,,9,True,others,3.0, +22,DeePKS-kit,deepmodeling/deepks-kit,,,,,https://github.com/deepmodeling/deepks-kit,https://github.com/deepmodeling/deepks-kit,LGPL-3.0,2020-07-29 03:27:50,2025-04-28 21:22:59.000000,2025-04-28 21:22:58,385,1.0,36.0,13.0,47.0,13.0,17.0,109,,,,,,a package for developing machine learning-based chemically accurate energy and density functional models.,,,7.0,,,,,,,,,,,,8,True,others,3.0,-1.0 +23,dpti,deepmodeling/dpti,dpti,,,,https://github.com/deepmodeling/dpti,https://github.com/deepmodeling/dpti,LGPL-3.0,2021-04-04 13:57:37,2025-06-30 19:35:12.000000,2025-03-15 19:50:12,432,,19.0,6.0,81.0,9.0,1.0,29,,,,14.0,,A Python Package to Automate Thermodynamic Integration Calculations for Free Energy.,2.0,2.0,17.0,https://pypi.org/project/dpti,14.0,,,,,,,,,,8,True,others,3.0, +24,AIS-Square,deepmodeling/AIS-Square,,,,,https://github.com/deepmodeling/AIS-Square,https://github.com/deepmodeling/AIS-Square,LGPL-3.0,2022-09-13 09:52:30,2025-06-30 16:12:53.000000,2025-06-30 16:12:52,1062,108.0,8.0,8.0,210.0,5.0,1.0,13,,,,,,,,,8.0,,,,,,,,,,,,8,True,others,3.0, +25,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,,11.0,9.0,25.0,4.0,,2,,,,651.0,,,15.0,15.0,4.0,https://pypi.org/project/fpop,651.0,,,,,,,,,,8,True,others,3.0, +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,,1.0,92,,,,21.0,,,,,3.0,,,,,,,,https://hub.docker.com/r/dptechnology/unifold,2024-01-08 06:24:09.367953,,914.0,7,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,,3.0,15,,,,,,Tutorials for DeepModeling projects.,,,11.0,,,,,,,,,,,,6,True,others,3.0,-1.0 +28,tbplas,deepmodeling/tbplas,,,,,https://github.com/deepmodeling/tbplas,https://github.com/deepmodeling/tbplas,,2024-02-29 03:21:24,2024-04-11 02:16:51.000000,2024-01-17 13:25:05,662,,5.0,9.0,2.0,3.0,,10,2024-03-01 09:33:35,1.6,,,1.0,Repository of TBPLaS (tight-binding package for large-scale simulation).,,,10.0,,,,,,,,,,,,6,True,others,3.0, +29,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,,1.0,95,,,,,,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 13:22:19,2024-12-21 09:53:32.000000,2024-04-19 07:37:47,61,,3.0,2.0,,,,6,2024-12-21 09:53:32,dpa-2-gfn2-xtb-tblite,4.0,0.0,1.0,Deep Potential driven molecular dihedral scan toolkit.,,,,,,,,,,,,,,,5,True,others,3.0, +32,DeepH-pack,deepmodeling/DeepH-pack,,,,,https://github.com/deepmodeling/DeepH-pack,https://github.com/deepmodeling/DeepH-pack,LGPL-3.0,2022-07-19 08:07:24,2024-04-11 02:16:01.000000,2023-12-28 12:48:09,56,,6.0,2.0,2.0,4.0,2.0,12,,,,,,Deep neural networks for density functional theory Hamiltonian.,,,6.0,,,,,,,,,,,,4,True,others,3.0, +33,ADMP,deepmodeling/ADMP,,,,,https://github.com/deepmodeling/ADMP,https://github.com/deepmodeling/ADMP,,2021-12-26 07:22:47,2024-04-11 02:15:25.000000,2022-02-15 02:13:59,120,,3.0,1.0,6.0,,,4,,,,,,Automatic Differentiation Multipole Moment Molecular Forcefield.,,,7.0,,,,,,,,,,,,4,True,others,3.0, +34,tutorials-cn,deepmodeling/tutorials-cn,,,,,https://github.com/deepmodeling/tutorials-cn,https://github.com/deepmodeling/tutorials-cn,LGPL-2.1,2022-03-30 07:39:32,2024-04-11 02:15:41.000000,2022-12-29 11:58:55,9,,7.0,5.0,13.0,,,4,,,,,,,,,4.0,,,,,,,,,,,,4,True,others,3.0, +35,LibRI,deepmodeling/LibRI,,,,,https://github.com/deepmodeling/LibRI,https://github.com/deepmodeling/LibRI,GPL-3.0,2023-04-19 02:10:20,2025-02-18 05:21:27.000000,2025-01-10 16:30:29,127,,1.0,2.0,1.0,2.0,1.0,6,,,,,,,,,3.0,,,,,,,,,,,,2,True,others,3.0, +36,openfinite,deepmodeling/openfinite,,,,,https://github.com/deepmodeling/openfinite,https://github.com/deepmodeling/openfinite,LGPL-3.0,2021-10-10 08:56:48,2024-04-11 02:15:14.000000,2021-10-06 08:13:39,13,,1.0,1.0,1.0,,,1,,,,,,,,,2.0,,,,,,,,,,,,0,True,others,, +37,dflow-op-cutter,deepmodeling/dflow-op-cutter,,,,,https://github.com/deepmodeling/dflow-op-cutter,https://github.com/deepmodeling/dflow-op-cutter,,2022-06-24 01:31:42,2024-04-11 02:15:58.000000,2022-07-06 09:54:08,4,,2.0,4.0,1.0,,1.0,1,,,,,,,,,2.0,,,,,,,,,,,,-1,True,others,3.0, diff --git a/latest-changes.md b/latest-changes.md index fb55c47..ae8adf9 100644 --- a/latest-changes.md +++ b/latest-changes.md @@ -2,14 +2,15 @@ _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._ -- reacnetgenerator (🥈21 · ⭐ 89 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 -- DeepFlame (🥈18 · ⭐ 170 · 📈) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 -- deepmodeling_sphinx (🥉13 · ⭐ 3 · 📈) - Sphinx extension for DeepModeling projects. LGPL-3.0 -- Uni-Fold (🥉7 · ⭐ 92 · 💤) - Apache-2 +- rid-kit (🥉12 · ⭐ 49 · 📈) - Reinforced dynamics. LGPL-3.0 +- Blog (🥉10 · ⭐ 3 · 📈) - DeepModeling Blog. LGPL-3.0 ## 📉 Trending Down _Projects that have a lower project-quality score compared to the last update. There might be a variety of reasons such as decreased downloads or code activity._ -- fpop (🥉8 · ⭐ 2 · 💤) - LGPL-3.0 +- reacnetgenerator (🥈20 · ⭐ 89 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +- DMFF (🥈13 · ⭐ 180 · 📉) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 +- DeePKS-kit (🥉8 · ⭐ 110 · 📉) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0 +- tutorials (🥉6 · ⭐ 15 · 📉) - Tutorials for DeepModeling projects. Unlicensed