From d6ab4d57fc8bc2add5e77de82eecdb49c2911f11 Mon Sep 17 00:00:00 2001 From: njzjz <9496702+njzjz@users.noreply.github.com> Date: Thu, 3 Apr 2025 18:04:31 +0000 Subject: [PATCH] Update best-of list for version 2025.04.03 --- README.md | 138 ++++++++++++++++---------------- history/2025-04-03_changes.md | 14 ++++ history/2025-04-03_projects.csv | 39 +++++++++ latest-changes.md | 8 +- 4 files changed, 126 insertions(+), 73 deletions(-) create mode 100644 history/2025-04-03_changes.md create mode 100644 history/2025-04-03_projects.csv diff --git a/README.md b/README.md index f6ad8d7..3a6c267 100644 --- a/README.md +++ b/README.md @@ -46,20 +46,20 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
DeePMD-kit (🥇28 · ⭐ 1.6K) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 75 · 🔀 520 · 📥 50K · 📦 26 · 📋 880 - 9% open · ⏱️ 02.03.2025): +- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 75 · 🔀 520 · 📥 50K · 📦 28 · 📋 880 - 9% open · ⏱️ 02.03.2025): ``` git clone https://github.com/deepmodeling/deepmd-kit ``` -- [PyPi](https://pypi.org/project/deepmd-kit) (📥 4.6K / month): +- [PyPi](https://pypi.org/project/deepmd-kit) (📥 5.6K / month): ``` pip install deepmd-kit ``` -- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 1.7M · ⏱️ 25.03.2025): +- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 1.7M · ⏱️ 30.03.2025): ``` conda install -c conda-forge deepmd-kit ``` -- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 9 / month): +- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 26 / month): ``` npm install deepmd-kit ``` @@ -75,11 +75,11 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K ``` git clone https://github.com/deepmodeling/dpdata ``` -- [PyPi](https://pypi.org/project/dpdata) (📥 20K / month): +- [PyPi](https://pypi.org/project/dpdata) (📥 19K / month): ``` pip install dpdata ``` -- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 93K · ⏱️ 25.03.2025): +- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 94K · ⏱️ 25.03.2025): ``` conda install -c conda-forge dpdata ``` @@ -90,7 +90,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
ABACUS (🥇24 · ⭐ 190) - 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 · 📋 2.2K - 4% open · ⏱️ 27.03.2025): +- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 130 · 🔀 140 · 📋 2.2K - 4% open · ⏱️ 03.04.2025): ``` git clone https://github.com/deepmodeling/abacus-develop @@ -100,46 +100,46 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K conda install -c conda-forge abacus ```
-
DP-GEN (🥇23 · ⭐ 330 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0 +
DP-GEN (🥇23 · ⭐ 330) - 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 · 📥 1.9K · 📦 8 · 📋 320 - 14% open · ⏱️ 21.02.2025): +- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 69 · 🔀 170 · 📥 1.9K · 📦 8 · 📋 320 - 13% open · ⏱️ 21.02.2025): ``` git clone https://github.com/deepmodeling/dpgen ``` -- [PyPi](https://pypi.org/project/dpgen) (📥 920 / month): +- [PyPi](https://pypi.org/project/dpgen) (📥 880 / month): ``` pip install dpgen ``` -- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 38K · ⏱️ 25.03.2025): +- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 39K · ⏱️ 25.03.2025): ``` conda install -c conda-forge dpgen ```
-
reacnetgenerator (🥈21 · ⭐ 84) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +
reacnetgenerator (🥈21 · ⭐ 86) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 18 · 🔀 40 · 📦 3 · 📋 130 - 5% open · ⏱️ 20.02.2025): ``` git clone https://github.com/deepmodeling/reacnetgenerator ``` -- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 4.2K / month): +- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 3.7K / month): ``` pip install reacnetgenerator ``` -- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 560K · ⏱️ 25.03.2025): +- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 570K · ⏱️ 25.03.2025): ``` conda install -c conda-forge reacnetgenerator ```
-
dpdispatcher (🥈21 · ⭐ 49 · 📉) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 +
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 · 🔀 53 · 📦 56 · 📋 81 - 22% open · ⏱️ 28.01.2025): +- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 46 · 🔀 54 · 📦 56 · 📋 81 - 22% open · ⏱️ 28.01.2025): ``` git clone https://github.com/deepmodeling/dpdispatcher ``` -- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.4K / month): +- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.2K / month): ``` pip install dpdispatcher ``` @@ -152,9 +152,9 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K docker pull dptechnology/dpdispatcher ```
-
dflow (🥈18 · ⭐ 68) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 +
dflow (🥈18 · ⭐ 69) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 22 · 🔀 28 · 📋 36 - 38% open · ⏱️ 18.03.2025): +- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 22 · 🔀 28 · 📋 36 - 38% open · ⏱️ 01.04.2025): ``` git clone https://github.com/deepmodeling/dflow @@ -167,7 +167,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K ``` conda install -c conda-forge dflow ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 11K · ⏱️ 18.03.2025): +- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 11K · ⏱️ 01.04.2025): ``` docker pull dptechnology/dflow ``` @@ -187,7 +187,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K ``` git clone https://github.com/deepmodeling/dargs ``` -- [PyPi](https://pypi.org/project/dargs) (📥 35K / month): +- [PyPi](https://pypi.org/project/dargs) (📥 32K / month): ``` pip install dargs ``` @@ -196,32 +196,32 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K conda install -c conda-forge dargs ```
-
DPGEN2 (🥈16 · ⭐ 37) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 +
DeePTB (🥈15 · ⭐ 70) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 28 · 📦 6 · 📋 35 - 34% open · ⏱️ 18.03.2025): +- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 11 · 🔀 17 · 📦 2 · 📋 44 - 31% open · ⏱️ 20.03.2025): ``` - git clone https://github.com/deepmodeling/dpgen2 - ``` -- [PyPi](https://pypi.org/project/dpgen2) (📥 240 / month): - ``` - pip install dpgen2 + git clone https://github.com/deepmodeling/DeePTB ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.8K · ⏱️ 18.03.2025): +- [PyPi](https://pypi.org/project/dptb) (📥 300 / month): ``` - docker pull dptechnology/dpgen2 + pip install dptb ```
-
DeePTB (🥈15 · ⭐ 68) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0 +
DPGEN2 (🥈15 · ⭐ 37 · 📉) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 11 · 🔀 17 · 📦 2 · 📋 44 - 31% open · ⏱️ 20.03.2025): +- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 28 · 📋 35 - 34% open · ⏱️ 18.03.2025): ``` - git clone https://github.com/deepmodeling/DeePTB + git clone https://github.com/deepmodeling/dpgen2 ``` -- [PyPi](https://pypi.org/project/dptb) (📥 300 / month): +- [PyPi](https://pypi.org/project/dpgen2) (📥 220 / month): ``` - pip install dptb + pip install dpgen2 + ``` +- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.8K · ⏱️ 18.03.2025): + ``` + docker pull dptechnology/dpgen2 ```
APEX (🥈15 · ⭐ 29) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 @@ -231,19 +231,19 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K ``` git clone https://github.com/deepmodeling/APEX ``` -- [PyPi](https://pypi.org/project/apex-flow) (📥 880 / month): +- [PyPi](https://pypi.org/project/apex-flow) (📥 960 / month): ``` pip install apex-flow ```
-
DP-GUI (🥈15 · ⭐ 7) - A web-based GUI for user inputs. LGPL-3.0 +
DP-GUI (🥈15 · ⭐ 8) - A web-based GUI for user inputs. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 12 · ⏱️ 13.03.2025): ``` git clone https://github.com/deepmodeling/dpgui ``` -- [PyPi](https://pypi.org/project/dpgui) (📥 17K / month): +- [PyPi](https://pypi.org/project/dpgui) (📥 16K / month): ``` pip install dpgui ``` @@ -262,24 +262,24 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K
JAX-FEM (🥈13 · ⭐ 360) - Differentiable Finite Element Method with JAX. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 55 · 📦 3 · 📋 48 - 58% open · ⏱️ 18.03.2025): +- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 10 · 🔀 57 · 📦 3 · 📋 48 - 58% open · ⏱️ 18.03.2025): ``` git clone https://github.com/deepmodeling/jax-fem ``` -- [PyPi](https://pypi.org/project/jax-fem) (📥 300 / month): +- [PyPi](https://pypi.org/project/jax-fem) (📥 350 / month): ``` pip install jax-fem ```
rid-kit (🥈13 · ⭐ 47) - Reinforced dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 23 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 07.03.2025): +- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 23 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025): ``` git clone https://github.com/deepmodeling/rid-kit ``` -- [PyPi](https://pypi.org/project/rid-kit) (📥 410 / month): +- [PyPi](https://pypi.org/project/rid-kit) (📥 440 / month): ``` pip install rid-kit ``` @@ -292,14 +292,14 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K git clone https://github.com/deepmodeling/GPUMD ```
-
deepmodeling_sphinx (🥉12 · ⭐ 3 · 📉) - Sphinx extension for DeepModeling projects. LGPL-3.0 +
deepmodeling_sphinx (🥉12 · ⭐ 3) - Sphinx extension for DeepModeling projects. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 7 · ⏱️ 22.03.2025): ``` git clone https://github.com/deepmodeling/deepmodeling_sphinx ``` -- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.8K / month): +- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2K / month): ``` pip install deepmodeling_sphinx ``` @@ -311,7 +311,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K ``` git clone https://github.com/deepmodeling/args ``` -- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 270 / month): +- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 280 / month): ``` npm install @deepmodeling/args ``` @@ -324,18 +324,26 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K git clone https://github.com/deepmodeling/deepks-kit ```
-
dpti (🥉9 · ⭐ 24) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 +
dpti (🥉9 · ⭐ 25) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 17 · 🔀 19 · 📦 2 · 📋 10 - 90% open · ⏱️ 15.03.2025): ``` git clone https://github.com/deepmodeling/dpti ``` -- [PyPi](https://pypi.org/project/dpti) (📥 120 / month): +- [PyPi](https://pypi.org/project/dpti) (📥 130 / month): ``` pip install dpti ```
+
AIS-Square (🥉9 · ⭐ 13 · 📈) - LGPL-3.0 + +- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 03.04.2025): + + ``` + git clone https://github.com/deepmodeling/AIS-Square + ``` +
fpop (🥉9 · ⭐ 3 · 💤) - LGPL-3.0 - [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 13 · 📦 14 · ⏱️ 01.07.2024): @@ -343,19 +351,11 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K ``` git clone https://github.com/deepmodeling/fpop ``` -- [PyPi](https://pypi.org/project/fpop) (📥 640 / month): +- [PyPi](https://pypi.org/project/fpop) (📥 620 / month): ``` pip install fpop ```
-
AIS-Square (🥉8 · ⭐ 13) - LGPL-3.0 - -- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 18.03.2025): - - ``` - git clone https://github.com/deepmodeling/AIS-Square - ``` -
fealpy (🥉8 · ⭐ 6 · 💤) - Finite Element Analysis Library in Python. Unlicensed - [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 57 · 🔀 2 · ⏱️ 24.04.2024): @@ -363,7 +363,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K ``` git clone https://github.com/deepmodeling/fealpy ``` -- [PyPi](https://pypi.org/project/fealpy) (📥 710 / month): +- [PyPi](https://pypi.org/project/fealpy) (📥 730 / month): ``` pip install fealpy ``` @@ -376,7 +376,15 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K git clone https://github.com/deepmodeling/blog ```
-
Uni-Fold (🥉7 · ⭐ 92 · 💤) - Apache-2 +
tutorials (🥉7 · ⭐ 14 · 📈) - Tutorials for DeepModeling projects. Unlicensed + +- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 11 · 🔀 23 · ⏱️ 03.04.2025): + + ``` + git clone https://github.com/deepmodeling/tutorials + ``` +
+
Uni-Fold (🥉6 · ⭐ 92 · 💤) - Apache-2 - [GitHub](https://github.com/deepmodeling/Uni-Fold) (👨‍💻 3 · 🔀 18 · ⏱️ 18.08.2022): @@ -388,7 +396,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K docker pull dptechnology/unifold ```
-
community (🥉6 · ⭐ 85) - DeepModeling community content. Unlicensed +
community (🥉6 · ⭐ 85 · 💤) - DeepModeling community content. Unlicensed - [GitHub](https://github.com/deepmodeling/community) (👨‍💻 17 · 🔀 21 · ⏱️ 26.09.2024): @@ -404,7 +412,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K git clone https://github.com/deepmodeling/tbplas ```
-
DeePDih (🥉6 · ⭐ 5 · 💤) - Deep Potential driven molecular dihedral scan toolkit. MIT +
DeePDih (🥉6 · ⭐ 6 · 💤) - Deep Potential driven molecular dihedral scan toolkit. MIT - [GitHub](https://github.com/deepmodeling/DeePDih) (🔀 3 · 📥 4 · ⏱️ 19.04.2024): @@ -428,14 +436,6 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K git clone https://github.com/deepmodeling/AI4Science101 ```
-
tutorials (🥉5 · ⭐ 14 · 💤) - Tutorials for DeepModeling projects. Unlicensed - -- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 10 · 🔀 23 · 📋 3 - 33% open · ⏱️ 21.08.2024): - - ``` - git clone https://github.com/deepmodeling/tutorials - ``` -
DeepH-pack (🥉4 · ⭐ 13 · 💤) - Deep neural networks for density functional theory Hamiltonian. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/DeepH-pack) (👨‍💻 6 · 🔀 6 · 📋 6 - 66% open · ⏱️ 28.12.2023): @@ -444,7 +444,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.9K git clone https://github.com/deepmodeling/DeepH-pack ```
-
ADMP (🥉4 · ⭐ 3 · 💤) - Automatic Differentiation Multipole Moment Molecular Forcefield. Unlicensed +
ADMP (🥉4 · ⭐ 4 · 💤) - Automatic Differentiation Multipole Moment Molecular Forcefield. Unlicensed - [GitHub](https://github.com/deepmodeling/ADMP) (👨‍💻 7 · 🔀 3 · ⏱️ 15.02.2022): diff --git a/history/2025-04-03_changes.md b/history/2025-04-03_changes.md new file mode 100644 index 0000000..c2f0a4b --- /dev/null +++ b/history/2025-04-03_changes.md @@ -0,0 +1,14 @@ +## 📈 Trending Up + +_Projects that have a higher project-quality score compared to the last update. There might be a variety of reasons, such as increased downloads or code activity._ + +- AIS-Square (🥉9 · ⭐ 13 · 📈) - LGPL-3.0 +- tutorials (🥉7 · ⭐ 14 · 📈) - Tutorials for DeepModeling projects. 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._ + +- DPGEN2 (🥈15 · ⭐ 37 · 📉) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 +- Uni-Fold (🥉6 · ⭐ 92 · 💤) - Apache-2 + diff --git a/history/2025-04-03_projects.csv b/history/2025-04-03_projects.csv new file mode 100644 index 0000000..3d26ee9 --- /dev/null +++ b/history/2025-04-03_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 15:23:44,2025-04-03 13:03:05.000000,2025-03-02 03:04:28,3180,25.0,517.0,45.0,2347.0,82.0,802.0,1618,2025-03-02 03:32:12,3.0.2,50370.0,42492.0,55.0,A deep learning package for many-body potential energy representation and molecular dynamics.,28.0,28.0,75.0,https://pypi.org/project/deepmd-kit,5620.0,https://anaconda.org/conda-forge/deepmd-kit,2025-03-30 14:32:09.176,1729632.0,https://www.npmjs.com/package/deepmd-kit,26.0,https://hub.docker.com/r/deepmodeling/deepmd-kit,2025-03-05 10:25:54.924708,1.0,3368.0,28,True,others,1.0, +1,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 13:24:23,2025-03-25 16:00:51.639000,2025-03-20 03:30:40,813,26.0,131.0,8.0,559.0,20.0,89.0,208,2025-03-20 03:31:32,0.2.24,,20616.0,40.0,A Python package for manipulating atomistic data of software in computational science.,139.0,139.0,63.0,https://pypi.org/project/dpdata,18930.0,https://anaconda.org/conda-forge/dpdata,2025-03-25 16:00:51.639,93968.0,,,https://hub.docker.com/r/dptechnology/dpdata,2023-06-02 09:30:14.674068,,640.0,24,True,others,1.0, +2,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 04:04:52,2025-04-03 13:39:22.000000,2025-04-03 13:39:22,7195,168.0,141.0,10.0,3758.0,100.0,2115.0,190,2025-03-14 14:24:20,3.9.0.2,,17781.0,66.0,An electronic structure package based on either plane wave basis or numerical atomic orbitals.,,,127.0,,,https://anaconda.org/conda-forge/abacus,2025-03-25 16:02:37.776,373421.0,,,,,,,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 11:43:56,2025-03-25 16:00:54.216000,2025-02-21 06:05:03,2168,8.0,171.0,10.0,881.0,44.0,274.0,333,2025-02-21 06:06:07,0.13.1,1917.0,1571.0,20.0,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,877.0,https://anaconda.org/conda-forge/dpgen,2025-03-25 16:00:54.216,38625.0,,,,,,,23,True,others,1.0, +4,reacnetgenerator,deepmodeling/reacnetgenerator,reacnetgenerator,conda-forge/reacnetgenerator,,,https://github.com/deepmodeling/reacnetgenerator,https://github.com/deepmodeling/reacnetgenerator,LGPL-3.0,2018-04-06 15:07:56,2025-04-03 17:02:04.000000,2025-02-20 08:48:52,2523,15.0,40.0,7.0,2197.0,7.0,123.0,86,2025-01-05 07:30:15,1.6.15,,13322.0,100.0,an automatic reaction network generator for reactive molecular dynamics simulation.,3.0,3.0,18.0,https://pypi.org/project/reacnetgenerator,3727.0,https://anaconda.org/conda-forge/reacnetgenerator,2025-03-25 16:01:02.328,566108.0,,,,,,,21,True,others,2.0, +5,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 05:14:37,2025-03-25 16:02:16.317000,2025-01-28 03:23:32,1103,2.0,54.0,5.0,407.0,18.0,63.0,51,2025-01-30 17:18:42,0.6.8,,5355.0,48.0,generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish.,56.0,56.0,46.0,https://pypi.org/project/dpdispatcher,2244.0,https://anaconda.org/conda-forge/dpdispatcher,2025-03-25 16:02:16.317,24278.0,,,https://hub.docker.com/r/dptechnology/dpdispatcher,2025-01-30 17:22:05.218053,,121104.0,21,True,others,2.0, +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 08:14:36,2025-04-01 10:10:28.541505,2025-04-01 10:07:49,2175,31.0,28.0,1.0,864.0,14.0,22.0,69,2025-04-01 10:08:19,1.8.109,,289.0,100.0,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,2025-04-01 10:10:28.541505,,11285.0,18,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 10:25:12,2025-02-21 02:47:36.000000,2025-01-18 07:42:22,1141,24.0,66.0,7.0,497.0,20.0,29.0,159,2025-01-08 11:06:39,1.5,,,21.0,A deep learning empowered open-source platform for reacting flow simulations.,,,26.0,,,,,,,,,,,,17,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 22:20:28,2025-03-25 16:01:40.768000,2025-01-28 03:24:29,163,2.0,3.0,5.0,81.0,2.0,7.0,5,2024-11-21 03:25:26,0.4.10,,32884.0,31.0,Argument processing for the deep modeling project.,138.0,138.0,7.0,https://pypi.org/project/dargs,32007.0,https://anaconda.org/conda-forge/dargs,2025-03-25 16:01:40.768,42098.0,,,,,,,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 03:19:42,2025-03-20 03:21:50.000000,2025-03-20 03:21:50,771,15.0,17.0,3.0,189.0,14.0,30.0,70,2024-08-15 03:02:38,2.1.1,,302.0,11.0,DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.,2.0,2.0,11.0,https://pypi.org/project/dptb,302.0,,,,,,,,,,15,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 02:41:16,2025-03-18 03:20:49.839582,2025-03-18 03:19:12,330,3.0,28.0,7.0,245.0,12.0,23.0,37,2023-01-28 03:43:25,0.0.7,,325.0,7.0,2nd generation of the Deep Potential GENerator.,,,14.0,https://pypi.org/project/dpgen2,225.0,,,,,,https://hub.docker.com/r/dptechnology/dpgen2,2025-03-18 03:20:49.839582,,3828.0,15,True,others,2.0,-1.0 +11,APEX,deepmodeling/APEX,apex-flow,,,,https://github.com/deepmodeling/APEX,https://github.com/deepmodeling/APEX,LGPL-3.0,2023-04-20 06:13:42,2025-03-11 12:35:42.000000,2025-03-11 12:35:42,618,14.0,20.0,7.0,84.0,1.0,8.0,29,2024-05-06 10:01:52,1.2.0,,956.0,4.0,APEX: Alloy Properties EXplorer using simulations.,4.0,4.0,7.0,https://pypi.org/project/apex-flow,956.0,,,,,,,,,,15,True,others,2.0, +12,DP-GUI,deepmodeling/dpgui,dpgui,,,,https://github.com/deepmodeling/dpgui,https://github.com/deepmodeling/dpgui,LGPL-3.0,2021-07-21 18:48:23,2025-03-24 19:44:07.000000,2025-03-13 03:19:56,324,3.0,5.0,6.0,514.0,,1.0,8,2024-11-17 07:05:49,1.0.1.post0,,16157.0,5.0,A web-based GUI for user inputs.,12.0,12.0,4.0,https://pypi.org/project/dpgui,16157.0,,,,,,,,,,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 01:35:50,2025-03-25 16:02:46.893000,2024-01-12 00:58:20,431,,46.0,9.0,166.0,12.0,16.0,172,2023-11-09 14:32:37,1.0.0,,120.0,4.0,DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable..,,,14.0,,,https://anaconda.org/conda-forge/dmff,2025-03-25 16:02:46.893,1803.0,,,,,,,14,True,others,2.0, +14,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 15:20:54,2025-03-18 07:49:13.000000,2025-03-18 07:48:51,210,1.0,57.0,12.0,7.0,28.0,20.0,362,,,,347.0,,Differentiable Finite Element Method with JAX.,3.0,3.0,10.0,https://pypi.org/project/jax-fem,347.0,,,,,,,,,,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 04:21:54,477,2.0,23.0,4.0,21.0,2.0,3.0,47,2024-05-14 03:25:35,0.6.4,148.0,439.0,5.0,Reinforced dynamics.,2.0,2.0,14.0,https://pypi.org/project/rid-kit,436.0,,,,,,,,,,13,True,others,2.0, +16,GPUMD,deepmodeling/GPUMD,,,,,https://github.com/deepmodeling/GPUMD,https://github.com/deepmodeling/GPUMD,GPL-3.0,2024-06-18 05:40:21,2025-02-14 17:53:13.000000,2025-02-14 17:52:38,4673,255.0,,,,,,5,,,,,,Graphics Processing Units Molecular Dynamics.,,,44.0,,,,,,,,,,,,12,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 00:19:06,2025-03-24 19:44:23.000000,2025-03-22 17:20:16,77,1.0,7.0,5.0,70.0,,,3,2025-03-22 17:20:41,0.3.1,,1983.0,25.0,Sphinx extension for DeepModeling projects.,,,7.0,https://pypi.org/project/deepmodeling_sphinx,1983.0,,,,,,,,,,12,True,others,3.0, +18,args,deepmodeling/args,,,@deepmodeling/args,,https://github.com/deepmodeling/args,https://github.com/deepmodeling/args,LGPL-3.0,2021-12-27 03:27:24,2025-03-06 02:44:56.000000,2025-03-06 02:44:30,83,4.0,2.0,5.0,54.0,,,2,2025-03-06 02:44:56,0.1.1,,284.0,18.0,DeepModeling dargs arguments generation.,5.0,5.0,3.0,,,,,,https://www.npmjs.com/package/@deepmodeling/args,284.0,,,,,11,True,others,3.0, +19,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,,36.0,13.0,47.0,10.0,17.0,106,,,,,,a package for developing machine learning-based chemically accurate energy and density functional models.,,,7.0,,,,,,,,,,,,9,True,others,3.0, +20,dpti,deepmodeling/dpti,dpti,,,,https://github.com/deepmodeling/dpti,https://github.com/deepmodeling/dpti,LGPL-3.0,2021-04-04 13:57:37,2025-03-24 19:46:35.000000,2025-03-15 19:50:12,432,3.0,19.0,6.0,80.0,9.0,1.0,25,,,,131.0,,A Python Package to Automate Thermodynamic Integration Calculations for Free Energy.,2.0,2.0,17.0,https://pypi.org/project/dpti,131.0,,,,,,,,,,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 09:52:30,2025-04-03 03:16:57.000000,2025-04-03 03:16:57,954,200.0,8.0,8.0,210.0,5.0,1.0,13,,,,,,,,,8.0,,,,,,,,,,,,9,True,others,3.0,1.0 +22,fpop,deepmodeling/fpop,fpop,,,,https://github.com/deepmodeling/fpop,https://github.com/deepmodeling/fpop,LGPL-3.0,2023-02-10 03:16:47,2024-07-01 09:11:36.000000,2024-07-01 09:11:36,42,,13.0,9.0,25.0,4.0,,3,,,,617.0,,,14.0,14.0,4.0,https://pypi.org/project/fpop,617.0,,,,,,,,,,9,True,others,3.0, +23,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,,,6,,,,732.0,,Finite Element Analysis Library in Python.,,,57.0,https://pypi.org/project/fealpy,732.0,,,,,,,,,,8,True,others,3.0, +24,Blog,deepmodeling/blog,,,,,https://github.com/deepmodeling/blog,https://github.com/deepmodeling/blog,LGPL-3.0,2021-06-10 23:11:55,2025-03-31 21:41:34.000000,2025-03-13 03:20:43,296,20.0,8.0,6.0,235.0,,,1,,,,,,DeepModeling Blog.,,,9.0,,,,,,,,,,,,8,True,others,3.0, +25,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 06:16:39,146,3.0,23.0,5.0,67.0,,3.0,14,,,,,,Tutorials for DeepModeling projects.,,,11.0,,,,,,,,,,,,7,True,others,3.0,2.0 +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,,18.0,5.0,2.0,,1.0,92,,,,20.0,,,,,3.0,,,,,,,,https://hub.docker.com/r/dptechnology/unifold,2024-01-08 06:24:09.367953,,822.0,6,True,others,3.0,-1.0 +27,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,,21.0,10.0,43.0,,2.0,85,,,,,,DeepModeling community content.,,,17.0,,,,,,,,,,,,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,,9,2024-03-01 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,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,4.0,1.0,1.0,Deep Potential driven molecular dihedral scan toolkit.,,,,,,,,,,,,,,,6,True,others,3.0, +30,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, +31,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,,14.0,9.0,29.0,,1.0,90,,,,,,AI for Science.,,,5.0,,,,,,,,,,,,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,,6.0,2.0,2.0,4.0,2.0,13,,,,,,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,,,3,,,,,,,,,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 16:30:29,127,1.0,1.0,2.0,1.0,2.0,1.0,6,,,,,,,,,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 bc402e2..c2f0a4b 100644 --- a/latest-changes.md +++ b/latest-changes.md @@ -2,13 +2,13 @@ _Projects that have a higher project-quality score compared to the last update. There might be a variety of reasons, such as increased downloads or code activity._ -- DMFF (🥈14 · ⭐ 170 · 💤) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 +- AIS-Square (🥉9 · ⭐ 13 · 📈) - LGPL-3.0 +- tutorials (🥉7 · ⭐ 14 · 📈) - Tutorials for DeepModeling projects. 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._ -- DP-GEN (🥇23 · ⭐ 330 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0 -- dpdispatcher (🥈21 · ⭐ 49 · 📉) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0 -- deepmodeling_sphinx (🥉12 · ⭐ 3 · 📉) - Sphinx extension for DeepModeling projects. LGPL-3.0 +- DPGEN2 (🥈15 · ⭐ 37 · 📉) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 +- Uni-Fold (🥉6 · ⭐ 92 · 💤) - Apache-2