diff --git a/README.md b/README.md index b3983c1..e2059ab 100644 --- a/README.md +++ b/README.md @@ -15,7 +15,7 @@

-This curated list contains 38 awesome open-source projects with a total of 3.4K 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! +This curated list contains 38 awesome open-source projects with a total of 3.5K 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). @@ -44,14 +44,14 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K Back to top -
DeePMD-kit (🥇26 · ⭐ 1.5K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 +
DeePMD-kit (🥇26 · ⭐ 1.5K) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 69 · 🔀 490 · 📥 40K · 📦 16 · 📋 780 - 10% open · ⏱️ 17.09.2024): +- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 69 · 🔀 490 · 📥 41K · 📦 17 · 📋 790 - 11% open · ⏱️ 17.09.2024): ``` git clone https://github.com/deepmodeling/deepmd-kit ``` -- [PyPi](https://pypi.org/project/deepmd-kit) (📥 3.2K / month): +- [PyPi](https://pypi.org/project/deepmd-kit) (📥 7.4K / month): ``` pip install deepmd-kit ``` @@ -59,7 +59,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K ``` conda install -c conda-forge deepmd-kit ``` -- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 13 / month): +- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 10 / month): ``` npm install deepmd-kit ``` @@ -70,12 +70,12 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
ABACUS (🥇26 · ⭐ 170) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 130 · 📋 1.9K - 11% open · ⏱️ 02.10.2024): +- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 130 · 📋 1.9K - 10% open · ⏱️ 10.10.2024): ``` git clone https://github.com/deepmodeling/abacus-develop ``` -- [Conda](https://anaconda.org/conda-forge/abacus) (📥 190K · ⏱️ 30.09.2024): +- [Conda](https://anaconda.org/conda-forge/abacus) (📥 200K · ⏱️ 30.09.2024): ``` conda install -c conda-forge abacus ``` @@ -87,11 +87,11 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K ``` git clone https://github.com/deepmodeling/dpdata ``` -- [PyPi](https://pypi.org/project/dpdata) (📥 43K / month): +- [PyPi](https://pypi.org/project/dpdata) (📥 47K / month): ``` pip install dpdata ``` -- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 78K · ⏱️ 21.09.2024): +- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 79K · ⏱️ 21.09.2024): ``` conda install -c conda-forge dpdata ``` @@ -100,30 +100,30 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K docker pull dptechnology/dpdata ```
-
DP-GEN (🥇22 · ⭐ 300 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0 +
DP-GEN (🥇22 · ⭐ 300) - 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) (👨‍💻 64 · 🔀 170 · 📥 1.8K · 📦 6 · 📋 300 - 11% open · ⏱️ 10.04.2024): +- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 64 · 🔀 170 · 📥 1.8K · 📦 7 · 📋 300 - 11% open · ⏱️ 10.04.2024): ``` git clone https://github.com/deepmodeling/dpgen ``` -- [PyPi](https://pypi.org/project/dpgen) (📥 760 / month): +- [PyPi](https://pypi.org/project/dpgen) (📥 1.1K / month): ``` pip install dpgen ``` -- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 32K · ⏱️ 10.04.2024): +- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 33K · ⏱️ 10.04.2024): ``` conda install -c conda-forge dpgen ```
dpdispatcher (🥇22 · ⭐ 42) - 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) (👨‍💻 47 · 🔀 54 · 📦 50 · 📋 77 - 20% open · ⏱️ 01.10.2024): +- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 47 · 🔀 54 · 📦 51 · 📋 77 - 20% open · ⏱️ 06.10.2024): ``` git clone https://github.com/deepmodeling/dpdispatcher ``` -- [PyPi](https://pypi.org/project/dpdispatcher) (📥 3K / month): +- [PyPi](https://pypi.org/project/dpdispatcher) (📥 4.5K / month): ``` pip install dpdispatcher ``` @@ -136,18 +136,18 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K docker pull dptechnology/dpdispatcher ```
-
reacnetgenerator (🥈20 · ⭐ 65) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +
reacnetgenerator (🥈21 · ⭐ 65 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 18 · 🔀 37 · 📦 2 · 📋 120 - 4% open · ⏱️ 03.10.2024): +- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 18 · 🔀 38 · 📦 3 · 📋 120 - 4% open · ⏱️ 05.10.2024): ``` git clone https://github.com/deepmodeling/reacnetgenerator ``` -- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 4.1K / month): +- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 7.1K / month): ``` pip install reacnetgenerator ``` -- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 420K · ⏱️ 10.05.2024): +- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 420K · ⏱️ 04.10.2024): ``` conda install -c conda-forge reacnetgenerator ``` @@ -183,7 +183,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K ``` pip install dargs ``` -- [Conda](https://anaconda.org/conda-forge/dargs) (📥 31K · ⏱️ 15.07.2024): +- [Conda](https://anaconda.org/conda-forge/dargs) (📥 32K · ⏱️ 15.07.2024): ``` conda install -c conda-forge dargs ``` @@ -198,54 +198,54 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
DPGEN2 (🥈17 · ⭐ 33) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 24 · 📦 4 · 📋 32 - 28% open · ⏱️ 02.10.2024): +- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 24 · 📦 5 · 📋 32 - 28% open · ⏱️ 06.10.2024): ``` git clone https://github.com/deepmodeling/dpgen2 ``` -- [PyPi](https://pypi.org/project/dpgen2) (📥 220 / month): +- [PyPi](https://pypi.org/project/dpgen2) (📥 380 / month): ``` pip install dpgen2 ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.6K · ⏱️ 02.10.2024): +- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.6K · ⏱️ 06.10.2024): ``` docker pull dptechnology/dpgen2 ```
-
DeePTB (🥈16 · ⭐ 47) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0 +
DeePTB (🥈16 · ⭐ 49) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 10 · 🔀 15 · 📦 1 · 📋 36 - 22% open · ⏱️ 19.09.2024): +- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 10 · 🔀 15 · 📦 2 · 📋 36 - 22% open · ⏱️ 03.10.2024): ``` git clone https://github.com/deepmodeling/DeePTB ``` -- [PyPi](https://pypi.org/project/dptb) (📥 240 / month): +- [PyPi](https://pypi.org/project/dptb) (📥 350 / month): ``` pip install dptb ```
-
APEX (🥈15 · ⭐ 22) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 +
JAX-FEM (🥈15 · ⭐ 260 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 6 · 🔀 16 · 📦 1 · ⏱️ 27.08.2024): +- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 8 · 🔀 39 · 📦 3 · 📋 32 - 62% open · ⏱️ 09.10.2024): ``` - git clone https://github.com/deepmodeling/APEX + git clone https://github.com/deepmodeling/jax-fem ``` -- [PyPi](https://pypi.org/project/apex-flow) (📥 870 / month): +- [PyPi](https://pypi.org/project/jax-fem) (📥 420 / month): ``` - pip install apex-flow + pip install jax-fem ```
-
JAX-FEM (🥈14 · ⭐ 250) - Differentiable Finite Element Method with JAX. GPL-3.0 +
APEX (🥈15 · ⭐ 23) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 8 · 🔀 40 · 📦 2 · 📋 32 - 62% open · ⏱️ 26.09.2024): +- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 6 · 🔀 16 · 📦 2 · 📋 8 - 12% open · ⏱️ 27.08.2024): ``` - git clone https://github.com/deepmodeling/jax-fem + git clone https://github.com/deepmodeling/APEX ``` -- [PyPi](https://pypi.org/project/jax-fem) (📥 310 / month): +- [PyPi](https://pypi.org/project/apex-flow) (📥 2.3K / month): ``` - pip install jax-fem + pip install apex-flow ```
DMFF (🥈14 · ⭐ 150 · 💤) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 @@ -255,55 +255,55 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K ``` git clone https://github.com/deepmodeling/DMFF ``` -- [Conda](https://anaconda.org/conda-forge/dmff) (📥 980 · ⏱️ 06.01.2024): +- [Conda](https://anaconda.org/conda-forge/dmff) (📥 1K · ⏱️ 06.01.2024): ``` conda install -c conda-forge dmff ```
rid-kit (🥈14 · ⭐ 44) - Reinforced dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 22 · 📥 140 · 📦 1 · 📋 4 - 25% open · ⏱️ 27.06.2024): +- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 22 · 📥 140 · 📦 2 · 📋 4 - 25% open · ⏱️ 27.06.2024): ``` git clone https://github.com/deepmodeling/rid-kit ``` -- [PyPi](https://pypi.org/project/rid-kit) (📥 180 / month): +- [PyPi](https://pypi.org/project/rid-kit) (📥 450 / month): ``` pip install rid-kit ```
DP-GUI (🥉13 · ⭐ 7) - A web-based GUI for user inputs. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 8 · ⏱️ 11.09.2024): +- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 9 · ⏱️ 11.09.2024): ``` git clone https://github.com/deepmodeling/dpgui ``` -- [PyPi](https://pypi.org/project/dpgui) (📥 18K / month): +- [PyPi](https://pypi.org/project/dpgui) (📥 20K / month): ``` pip install dpgui ```
-
deepmodeling_sphinx (🥉12 · ⭐ 2) - Sphinx extension for DeepModeling projects. LGPL-3.0 +
deepmodeling_sphinx (🥉13 · ⭐ 3 · 📈) - Sphinx extension for DeepModeling projects. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 6 · ⏱️ 11.09.2024): +- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 7 · ⏱️ 11.09.2024): ``` git clone https://github.com/deepmodeling/deepmodeling_sphinx ``` -- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.2K / month): +- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.9K / month): ``` pip install deepmodeling_sphinx ```
-
dpti (🥉11 · ⭐ 21) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 +
dpti (🥉12 · ⭐ 21 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 19 · 🔀 19 · 📦 1 · ⏱️ 14.08.2024): +- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 19 · 🔀 19 · 📦 2 · ⏱️ 14.08.2024): ``` git clone https://github.com/deepmodeling/dpti ``` -- [PyPi](https://pypi.org/project/dpti) (📥 140 / month): +- [PyPi](https://pypi.org/project/dpti) (📥 220 / month): ``` pip install dpti ``` @@ -318,7 +318,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K
GPUMD (🥉10 · ⭐ 3 · 🐣) - Graphics Processing Units Molecular Dynamics. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 34 · ⏱️ 03.09.2024): +- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 34 · ⏱️ 03.10.2024): ``` git clone https://github.com/deepmodeling/GPUMD @@ -339,26 +339,26 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K ``` git clone https://github.com/deepmodeling/fealpy ``` -- [PyPi](https://pypi.org/project/fealpy) (📥 200 / month): +- [PyPi](https://pypi.org/project/fealpy) (📥 390 / month): ``` pip install fealpy ```
-
args (🥉8 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. LGPL-3.0 +
args (🥉8 · ⭐ 2) - DeepModeling dargs arguments generation. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 02.09.2024): ``` git clone https://github.com/deepmodeling/args ``` -- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 77 / month): +- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 71 / month): ``` npm install @deepmodeling/args ```
fpop (🥉8 · ⭐ 2) - LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 11 · 📦 8 · ⏱️ 01.07.2024): +- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 11 · 📦 9 · ⏱️ 01.07.2024): ``` git clone https://github.com/deepmodeling/fpop @@ -396,7 +396,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.4K git clone https://github.com/deepmodeling/tutorials ```
-
AIS-Square (🥉6 · ⭐ 10 · 💤) - LGPL-3.0 +
AIS-Square (🥉6 · ⭐ 12 · 💤) - LGPL-3.0 - [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 06.12.2023): diff --git a/history/2024-10-10_changes.md b/history/2024-10-10_changes.md new file mode 100644 index 0000000..1db7550 --- /dev/null +++ b/history/2024-10-10_changes.md @@ -0,0 +1,9 @@ +## 📈 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._ + +- reacnetgenerator (🥈21 · ⭐ 65 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +- JAX-FEM (🥈15 · ⭐ 260 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0 +- deepmodeling_sphinx (🥉13 · ⭐ 3 · 📈) - Sphinx extension for DeepModeling projects. LGPL-3.0 +- dpti (🥉12 · ⭐ 21 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 + diff --git a/history/2024-10-10_projects.csv b/history/2024-10-10_projects.csv new file mode 100644 index 0000000..d35be87 --- /dev/null +++ b/history/2024-10-10_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 15:23:44,2024-10-09 13:58:49.000000,2024-09-17 18:00:40,2534,1.0,489.0,47.0,2058.0,87.0,701.0,1464.0,2024-07-03 19:22:15,2.2.11,40772.0,34221.0,50.0,A deep learning package for many-body potential energy representation and molecular dynamics.,17.0,17.0,69.0,https://pypi.org/project/deepmd-kit,7384.0,https://anaconda.org/conda-forge/deepmd-kit,2024-09-25 21:45:32.942,1096243.0,https://www.npmjs.com/package/deepmd-kit,10.0,https://hub.docker.com/r/deepmodeling/deepmd-kit,2024-07-27 08:24:51.741318,1.0,2898.0,26,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 04:04:52,2024-10-10 14:45:13.000000,2024-10-10 14:45:13,6747,247.0,129.0,11.0,3227.0,203.0,1698.0,168.0,2024-10-08 01:57:17,3.8.0,,13460.0,57.0,An electronic structure package based on either plane wave basis or numerical atomic orbitals.,,,119.0,,,https://anaconda.org/conda-forge/abacus,2024-09-30 05:07:06.822,201909.0,,,,,,,26,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 13:24:23,2024-10-07 23:47:19.000000,2024-09-20 18:23:06,761,31.0,124.0,9.0,510.0,18.0,82.0,195.0,2024-09-20 18:24:21,0.2.21,,48560.0,37.0,A Python package for manipulating atomistic data of software in computational science.,124.0,124.0,61.0,https://pypi.org/project/dpdata,46978.0,https://anaconda.org/conda-forge/dpdata,2024-09-21 05:04:04.171,78680.0,,,https://hub.docker.com/r/dptechnology/dpdata,2023-06-02 09:30:14.674068,,638.0,24,True,others,1.0, +3,DP-GEN,deepmodeling/dpgen,dpgen,conda-forge/dpgen,,,https://github.com/deepmodeling/dpgen,https://github.com/deepmodeling/dpgen,LGPL-3.0,2019-06-13 11:43:56,2024-10-08 00:47:54.000000,2024-04-10 06:31:36,2083,,168.0,13.0,848.0,35.0,264.0,301.0,2024-04-10 06:37:07,0.12.1,1794.0,1755.0,18.0,The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field.,7.0,7.0,64.0,https://pypi.org/project/dpgen,1099.0,https://anaconda.org/conda-forge/dpgen,2024-04-10 09:44:30.012,32587.0,,,,,,,22,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 05:14:37,2024-10-07 23:47:27.000000,2024-10-06 20:32:18,1096,23.0,54.0,6.0,398.0,16.0,61.0,42.0,2024-08-30 18:52:29,0.6.7,,7503.0,47.0,generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish.,51.0,51.0,47.0,https://pypi.org/project/dpdispatcher,4545.0,https://anaconda.org/conda-forge/dpdispatcher,2024-08-31 12:30:44.164,15224.0,,,https://hub.docker.com/r/dptechnology/dpdispatcher,2024-08-30 18:56:38.463169,,108117.0,22,True,others,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 15:07:56,2024-10-07 23:48:35.000000,2024-10-05 03:23:44,2499,19.0,38.0,9.0,2137.0,5.0,120.0,65.0,2024-10-03 19:33:36,1.6.14,,15022.0,100.0,an automatic reaction network generator for reactive molecular dynamics simulation.,3.0,3.0,18.0,https://pypi.org/project/reacnetgenerator,7069.0,https://anaconda.org/conda-forge/reacnetgenerator,2024-10-04 04:12:50.002,421527.0,,,,,,,21,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 08:14:36,2024-09-20 09:10:07.304674,2024-09-20 09:05:34,2102,68.0,25.0,1.0,830.0,14.0,21.0,63.0,2024-09-20 09:08:33,1.8.93,,279.0,100.0,Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows)..,,,22.0,https://pypi.org/project/dflow,,https://anaconda.org/conda-forge/dflow,,,,,https://hub.docker.com/r/dptechnology/dflow,2024-09-20 09:10:07.304674,,9226.0,19,True,others,2.0, +7,dargs,deepmodeling/dargs,dargs,conda-forge/dargs,,,https://github.com/deepmodeling/dargs,https://github.com/deepmodeling/dargs,LGPL-3.0,2020-09-19 22:20:28,2024-10-07 23:47:28.000000,2024-07-17 20:31:43,151,5.0,3.0,7.0,69.0,2.0,6.0,5.0,2024-07-15 00:16:52,0.4.8,,69321.0,29.0,Argument processing for the deep modeling project.,125.0,125.0,7.0,https://pypi.org/project/dargs,68566.0,https://anaconda.org/conda-forge/dargs,2024-07-15 04:32:31.846,31729.0,,,,,,,19,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 10:25:12,2024-10-08 15:07:48.000000,2024-08-30 05:24:55,1110,52.0,60.0,6.0,469.0,17.0,29.0,135.0,2024-08-23 01:31:45,1.4,,,20.0,A deep learning empowered open-source platform for reacting flow simulations.,,,24.0,,,,,,,,,,,,17,True,others,2.0, +9,DPGEN2,deepmodeling/dpgen2,dpgen2,,,dptechnology/dpgen2,https://github.com/deepmodeling/dpgen2,https://github.com/deepmodeling/dpgen2,LGPL-3.0,2022-02-28 02:41:16,2024-10-06 02:38:01.475512,2024-10-06 02:36:41,319,21.0,24.0,7.0,229.0,9.0,23.0,33.0,2023-01-28 03:43:25,0.0.7,,490.0,7.0,2nd generation of the Deep Potential GENerator.,5.0,5.0,14.0,https://pypi.org/project/dpgen2,378.0,,,,,,https://hub.docker.com/r/dptechnology/dpgen2,2024-10-06 02:38:01.475512,,3600.0,17,True,others,2.0, +10,DeePTB,deepmodeling/DeePTB,dptb,,,,https://github.com/deepmodeling/DeePTB,https://github.com/deepmodeling/DeePTB,LGPL-3.0,2023-07-11 03:19:42,2024-10-03 18:52:57.000000,2024-10-03 18:52:57,748,31.0,15.0,3.0,175.0,8.0,28.0,49.0,2024-08-15 03:02:38,2.1.1,,348.0,11.0,DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.,2.0,2.0,10.0,https://pypi.org/project/dptb,348.0,,,,,,,,,,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 15:20:54,2024-10-09 03:02:30.000000,2024-10-09 03:02:27,204,15.0,39.0,14.0,5.0,20.0,12.0,259.0,,,,417.0,,Differentiable Finite Element Method with JAX.,3.0,3.0,8.0,https://pypi.org/project/jax-fem,417.0,,,,,,,,,,15,True,others,2.0,1.0 +12,APEX,deepmodeling/APEX,apex-flow,,,,https://github.com/deepmodeling/APEX,https://github.com/deepmodeling/APEX,LGPL-3.0,2023-04-20 06:13:42,2024-08-27 12:48:16.000000,2024-08-27 12:48:16,562,9.0,16.0,7.0,74.0,1.0,7.0,23.0,2024-05-06 10:01:52,1.2.0,,2289.0,4.0,APEX: Alloy Properties EXplorer using simulations.,2.0,2.0,6.0,https://pypi.org/project/apex-flow,2289.0,,,,,,,,,,15,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 01:35:50,2024-08-20 02:36:26.000000,2024-01-12 00:58:20,431,,42.0,9.0,162.0,10.0,16.0,151.0,2023-11-09 14:32:37,1.0.0,,113.0,4.0,DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable..,,,14.0,,,https://anaconda.org/conda-forge/dmff,2024-01-06 07:33:02.470,1022.0,,,,,,,14,True,others,2.0, +14,rid-kit,deepmodeling/rid-kit,rid-kit,,,,https://github.com/deepmodeling/rid-kit,https://github.com/deepmodeling/rid-kit,LGPL-3.0,2021-02-02 02:44:00,2024-06-27 07:19:30.000000,2024-06-27 07:19:24,475,,22.0,5.0,21.0,1.0,3.0,44.0,2024-05-14 03:25:35,0.6.4,145.0,450.0,5.0,Reinforced dynamics.,2.0,2.0,14.0,https://pypi.org/project/rid-kit,447.0,,,,,,,,,,14,True,others,2.0, +15,DP-GUI,deepmodeling/dpgui,dpgui,,,,https://github.com/deepmodeling/dpgui,https://github.com/deepmodeling/dpgui,LGPL-3.0,2021-07-21 18:48:23,2024-10-07 23:47:40.000000,2024-09-11 04:21:44,306,2.0,5.0,6.0,475.0,,1.0,7.0,2023-10-13 05:16:09,1.0.0,,20028.0,4.0,A web-based GUI for user inputs.,9.0,9.0,4.0,https://pypi.org/project/dpgui,20028.0,,,,,,,,,,13,True,others,3.0, +16,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 00:19:06,2024-10-07 23:47:17.000000,2024-09-11 04:10:49,73,6.0,7.0,5.0,66.0,,,3.0,2024-09-11 04:11:41,0.2.10,,2908.0,23.0,Sphinx extension for DeepModeling projects.,,,7.0,https://pypi.org/project/deepmodeling_sphinx,2908.0,,,,,,,,,,13,True,others,3.0,1.0 +17,dpti,deepmodeling/dpti,dpti,,,,https://github.com/deepmodeling/dpti,https://github.com/deepmodeling/dpti,LGPL-3.0,2021-04-04 13:57:37,2024-10-07 23:47:28.000000,2024-08-14 03:08:53,406,12.0,19.0,7.0,70.0,8.0,,21.0,,,,225.0,,A Python Package to Automate Thermodynamic Integration Calculations for Free Energy.,2.0,2.0,19.0,https://pypi.org/project/dpti,225.0,,,,,,,,,,12,True,others,3.0,1.0 +18,DeePKS-kit,deepmodeling/deepks-kit,,,,,https://github.com/deepmodeling/deepks-kit,https://github.com/deepmodeling/deepks-kit,LGPL-3.0,2020-07-29 03:27:50,2024-09-28 05:44:36.000000,2024-04-13 03:44:40,384,,35.0,14.0,46.0,5.0,14.0,100.0,,,,,,a package for developing machine learning-based chemically accurate energy and density functional models.,,,7.0,,,,,,,,,,,,10,True,others,3.0, +19,GPUMD,deepmodeling/GPUMD,,,,,https://github.com/deepmodeling/GPUMD,https://github.com/deepmodeling/GPUMD,GPL-3.0,2024-06-18 05:40:21,2024-10-04 07:56:59.000000,2024-10-03 19:23:04,4010,123.0,,,,,,3.0,,,,,,Graphics Processing Units Molecular Dynamics.,,,34.0,,,,,,,,,,,,10,True,others,3.0, +20,community,deepmodeling/community,,,,,https://github.com/deepmodeling/community,https://github.com/deepmodeling/community,,2021-05-06 04:50:02,2024-09-26 09:19:17.000000,2024-09-26 09:19:17,137,13.0,21.0,11.0,42.0,,2.0,82.0,,,,,,DeepModeling community content.,,,17.0,,,,,,,,,,,,8,True,others,3.0, +21,fealpy,deepmodeling/fealpy,fealpy,,,,https://github.com/deepmodeling/fealpy,https://github.com/deepmodeling/fealpy,,2023-04-10 03:58:57,2024-04-24 03:09:27.000000,2024-04-24 01:36:31,6125,,2.0,1.0,1.0,,,3.0,,,,386.0,,Finite Element Analysis Library in Python.,,,57.0,https://pypi.org/project/fealpy,386.0,,,,,,,,,,8,True,others,3.0, +22,args,deepmodeling/args,,,@deepmodeling/args,,https://github.com/deepmodeling/args,https://github.com/deepmodeling/args,LGPL-3.0,2021-12-27 03:27:24,2024-09-02 15:27:53.000000,2024-09-02 15:27:51,74,1.0,2.0,6.0,47.0,,,2.0,2024-04-11 23:49:50,0.0.17,,71.0,16.0,DeepModeling dargs arguments generation.,5.0,5.0,3.0,,,,,,https://www.npmjs.com/package/@deepmodeling/args,71.0,,,,,8,True,others,3.0, +23,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,,2.0,,,,1272.0,,,9.0,9.0,4.0,https://pypi.org/project/fpop,1272.0,,,,,,,,,,8,True,others,3.0, +24,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,,18.0,5.0,2.0,,1.0,91.0,,,,21.0,,,,,3.0,,,,,,,,https://hub.docker.com/r/dptechnology/unifold,2024-01-08 06:24:09.367953,,725.0,7,True,others,3.0, +25,Blog,deepmodeling/blog,,,,,https://github.com/deepmodeling/blog,https://github.com/deepmodeling/blog,LGPL-3.0,2021-06-10 23:11:55,2024-09-20 21:33:43.000000,2024-09-11 03:27:08,177,7.0,7.0,6.0,108.0,,,1.0,,,,,,DeepModeling Blog.,,,7.0,,,,,,,,,,,,7,True,others,3.0, +26,tutorials,deepmodeling/tutorials,,,,,https://github.com/deepmodeling/tutorials,https://github.com/deepmodeling/tutorials,,2022-03-07 06:19:19,2024-08-21 19:01:45.000000,2024-08-21 19:01:44,143,3.0,22.0,5.0,66.0,,2.0,13.0,,,,,,Tutorials for DeepModeling projects.,,,10.0,,,,,,,,,,,,6,True,others,3.0, +27,AIS-Square,deepmodeling/AIS-Square,,,,,https://github.com/deepmodeling/AIS-Square,https://github.com/deepmodeling/AIS-Square,LGPL-3.0,2022-09-13 09:52:30,2024-08-26 15:33:53.000000,2023-12-06 03:06:55,469,,8.0,8.0,210.0,5.0,1.0,12.0,,,,,,,,,8.0,,,,,,,,,,,,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,,4.0,9.0,2.0,2.0,,7.0,2024-03-01 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 00:32:29,2024-04-11 04:19:01.000000,2024-04-11 04:19:01,27,,7.0,5.0,22.0,,,3.0,,,,,,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,,13.0,9.0,29.0,,1.0,83.0,,,,,,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 13:22:19,2024-06-23 14:34:36.000000,2024-04-19 07:37:47,61,,2.0,2.0,,,,4.0,,,,,,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,,6.0,2.0,2.0,4.0,2.0,11.0,,,,,,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,,7.0,5.0,13.0,,,3.0,,,,,,,,,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,,2.0,1.0,6.0,,,2.0,,,,,,Automatic Differentiation Multipole Moment Molecular Forcefield.,,,7.0,,,,,,,,,,,,2,True,others,3.0, +35,LibRI,deepmodeling/LibRI,,,,,https://github.com/deepmodeling/LibRI,https://github.com/deepmodeling/LibRI,GPL-3.0,2023-04-19 02:10:20,2024-04-11 02:16:14.000000,2023-04-10 15:53:42,80,,1.0,2.0,1.0,2.0,1.0,6.0,,,,,,,,,2.0,,,,,,,,,,,,1,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,,,1.0,,,,,,,,,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,,1.0,4.0,1.0,,1.0,,,,,,,,,,2.0,,,,,,,,,,,,0,True,others,, diff --git a/latest-changes.md b/latest-changes.md index 67facd0..1db7550 100644 --- a/latest-changes.md +++ b/latest-changes.md @@ -1,8 +1,9 @@ -## 📉 Trending Down +## 📈 Trending Up -_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._ +_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 (🥇26 · ⭐ 1.5K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 -- DP-GEN (🥇22 · ⭐ 300 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0 -- args (🥉8 · ⭐ 2 · 📉) - DeepModeling dargs arguments generation. LGPL-3.0 +- reacnetgenerator (🥈21 · ⭐ 65 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +- JAX-FEM (🥈15 · ⭐ 260 · 📈) - Differentiable Finite Element Method with JAX. GPL-3.0 +- deepmodeling_sphinx (🥉13 · ⭐ 3 · 📈) - Sphinx extension for DeepModeling projects. LGPL-3.0 +- dpti (🥉12 · ⭐ 21 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0