diff --git a/README.md b/README.md index 70ecd8c..868ef7b 100644 --- a/README.md +++ b/README.md @@ -46,20 +46,20 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K
DeePMD-kit (🥇28 · ⭐ 1.4K) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 69 · 🔀 480 · 📥 38K · 📦 16 · 📋 740 - 10% open · ⏱️ 06.07.2024): +- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 69 · 🔀 480 · 📥 38K · 📦 16 · 📋 750 - 10% open · ⏱️ 06.07.2024): ``` git clone https://github.com/deepmodeling/deepmd-kit ``` -- [PyPi](https://pypi.org/project/deepmd-kit) (📥 1.5K / month): +- [PyPi](https://pypi.org/project/deepmd-kit) (📥 1.4K / month): ``` pip install deepmd-kit ``` -- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 840K · ⏱️ 27.07.2024): +- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 860K · ⏱️ 27.07.2024): ``` conda install -c conda-forge deepmd-kit ``` -- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 26 / month): +- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 17 / month): ``` npm install deepmd-kit ``` @@ -68,30 +68,30 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K docker pull deepmodeling/deepmd-kit ```
-
ABACUS (🥇25 · ⭐ 150) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 +
ABACUS (🥇26 · ⭐ 150 · 📈) - 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 · 📋 1.8K - 11% open · ⏱️ 08.08.2024): +- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 130 · 📋 1.8K - 11% open · ⏱️ 15.08.2024): ``` git clone https://github.com/deepmodeling/abacus-develop ``` -- [Conda](https://anaconda.org/conda-forge/abacus) (📥 100K · ⏱️ 29.07.2024): +- [Conda](https://anaconda.org/conda-forge/abacus) (📥 110K · ⏱️ 13.08.2024): ``` conda install -c conda-forge abacus ```
-
dpdata (🥇24 · ⭐ 190) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. LGPL-3.0 +
dpdata (🥇23 · ⭐ 200 · 📉) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 60 · 🔀 120 · 📦 120 · 📋 96 - 16% open · ⏱️ 06.06.2024): ``` git clone https://github.com/deepmodeling/dpdata ``` -- [PyPi](https://pypi.org/project/dpdata) (📥 39K / month): +- [PyPi](https://pypi.org/project/dpdata) (📥 31K / month): ``` pip install dpdata ``` -- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 73K · ⏱️ 06.06.2024): +- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 74K · ⏱️ 06.06.2024): ``` conda install -c conda-forge dpdata ``` @@ -107,11 +107,11 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K ``` git clone https://github.com/deepmodeling/dpgen ``` -- [PyPi](https://pypi.org/project/dpgen) (📥 370 / month): +- [PyPi](https://pypi.org/project/dpgen) (📥 320 / month): ``` pip install dpgen ``` -- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 30K · ⏱️ 10.04.2024): +- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 31K · ⏱️ 10.04.2024): ``` conda install -c conda-forge dpgen ``` @@ -123,7 +123,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K ``` git clone https://github.com/deepmodeling/dpdispatcher ``` -- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.3K / month): +- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.2K / month): ``` pip install dpdispatcher ``` @@ -136,14 +136,14 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K docker pull dptechnology/dpdispatcher ```
-
reacnetgenerator (🥈20 · ⭐ 63 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +
reacnetgenerator (🥈19 · ⭐ 63 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 18 · 🔀 35 · 📦 2 · 📋 120 - 3% open · ⏱️ 05.08.2024): +- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 18 · 🔀 35 · 📦 2 · 📋 120 - 3% open · ⏱️ 09.08.2024): ``` git clone https://github.com/deepmodeling/reacnetgenerator ``` -- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 1.1K / month): +- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 430 / month): ``` pip install reacnetgenerator ``` @@ -152,25 +152,9 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K conda install -c conda-forge reacnetgenerator ```
-
dargs (🥈20 · ⭐ 5) - Argument processing for the deep modeling project. LGPL-3.0 +
dflow (🥈19 · ⭐ 60) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 7 · 🔀 3 · 📦 120 · 📋 8 - 25% open · ⏱️ 17.07.2024): - - ``` - git clone https://github.com/deepmodeling/dargs - ``` -- [PyPi](https://pypi.org/project/dargs) (📥 66K / month): - ``` - pip install dargs - ``` -- [Conda](https://anaconda.org/conda-forge/dargs) (📥 28K · ⏱️ 15.07.2024): - ``` - conda install -c conda-forge dargs - ``` -
-
dflow (🥈19 · ⭐ 59) - 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 · 🔀 24 · 📋 35 - 40% open · ⏱️ 07.08.2024): +- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 22 · 🔀 25 · 📋 35 - 40% open · ⏱️ 07.08.2024): ``` git clone https://github.com/deepmodeling/dflow @@ -188,23 +172,39 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K docker pull dptechnology/dflow ```
+
dargs (🥈19 · ⭐ 5 · 📉) - Argument processing for the deep modeling project. LGPL-3.0 + +- [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 7 · 🔀 3 · 📦 120 · 📋 8 - 25% open · ⏱️ 17.07.2024): + + ``` + git clone https://github.com/deepmodeling/dargs + ``` +- [PyPi](https://pypi.org/project/dargs) (📥 52K / month): + ``` + pip install dargs + ``` +- [Conda](https://anaconda.org/conda-forge/dargs) (📥 28K · ⏱️ 15.07.2024): + ``` + conda install -c conda-forge dargs + ``` +
DPGEN2 (🥈17 · ⭐ 31) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 24 · 📦 4 · 📋 32 - 28% open · ⏱️ 05.08.2024): +- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 24 · 📦 4 · 📋 32 - 28% open · ⏱️ 13.08.2024): ``` git clone https://github.com/deepmodeling/dpgen2 ``` -- [PyPi](https://pypi.org/project/dpgen2) (📥 51 / month): +- [PyPi](https://pypi.org/project/dpgen2) (📥 55 / month): ``` pip install dpgen2 ``` -- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.3K · ⏱️ 05.08.2024): +- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 3.4K · ⏱️ 13.08.2024): ``` docker pull dptechnology/dpgen2 ```
-
DeepFlame (🥈16 · ⭐ 130 · 📈) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 +
DeepFlame (🥈16 · ⭐ 130) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 - [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 24 · 🔀 58 · 📋 46 - 36% open · ⏱️ 05.08.2024): @@ -212,74 +212,62 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K git clone https://github.com/deepmodeling/deepflame-dev ```
-
DeePTB (🥈15 · ⭐ 37 · 📉) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0 +
DeePTB (🥈16 · ⭐ 40 · 📈) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 9 · 🔀 13 · 📦 1 · 📋 34 - 26% open · ⏱️ 25.07.2024): +- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 9 · 🔀 14 · 📦 1 · 📋 34 - 20% open · ⏱️ 15.08.2024): ``` git clone https://github.com/deepmodeling/DeePTB ``` -- [PyPi](https://pypi.org/project/dptb) (📥 68 / month): +- [PyPi](https://pypi.org/project/dptb) (📥 140 / month): ``` pip install dptb ```
-
rid-kit (🥈14 · ⭐ 42) - Reinforced dynamics. LGPL-3.0 - -- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 21 · 📥 140 · 📦 1 · 📋 4 - 25% open · ⏱️ 27.06.2024): - - ``` - git clone https://github.com/deepmodeling/rid-kit - ``` -- [PyPi](https://pypi.org/project/rid-kit) (📥 63 / month): - ``` - pip install rid-kit - ``` -
-
JAX-FEM (🥈13 · ⭐ 210) - Differentiable Finite Element Method with JAX. GPL-3.0 +
DMFF (🥈13 · ⭐ 150 · 💤) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 7 · 🔀 33 · 📦 1 · 📋 24 - 70% open · ⏱️ 24.07.2024): +- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 14 · 🔀 40 · 📋 26 - 38% open · ⏱️ 12.01.2024): ``` - git clone https://github.com/deepmodeling/jax-fem + git clone https://github.com/deepmodeling/DMFF ``` -- [PyPi](https://pypi.org/project/jax-fem) (📥 150 / month): +- [Conda](https://anaconda.org/conda-forge/dmff) (📥 670 · ⏱️ 06.01.2024): ``` - pip install jax-fem + conda install -c conda-forge dmff ```
-
DMFF (🥈13 · ⭐ 150 · 💤) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 +
rid-kit (🥈13 · ⭐ 42 · 📉) - Reinforced dynamics. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 14 · 🔀 40 · 📋 26 - 38% open · ⏱️ 12.01.2024): +- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 21 · 📥 140 · 📦 1 · 📋 4 - 25% open · ⏱️ 27.06.2024): ``` - git clone https://github.com/deepmodeling/DMFF + git clone https://github.com/deepmodeling/rid-kit ``` -- [Conda](https://anaconda.org/conda-forge/dmff) (📥 650 · ⏱️ 06.01.2024): +- [PyPi](https://pypi.org/project/rid-kit) (📥 52 / month): ``` - conda install -c conda-forge dmff + pip install rid-kit ```
-
APEX (🥈13 · ⭐ 20 · 📉) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 +
APEX (🥈13 · ⭐ 20) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 6 · 🔀 16 · 📦 1 · ⏱️ 06.05.2024): ``` git clone https://github.com/deepmodeling/APEX ``` -- [PyPi](https://pypi.org/project/apex-flow) (📥 440 / month): +- [PyPi](https://pypi.org/project/apex-flow) (📥 450 / month): ``` pip install apex-flow ```
-
DP-GUI (🥈13 · ⭐ 7 · 📉) - A web-based GUI for user inputs. LGPL-3.0 +
DP-GUI (🥈13 · ⭐ 7) - A web-based GUI for user inputs. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 3 · 🔀 4 · 📦 8 · ⏱️ 31.05.2024): ``` git clone https://github.com/deepmodeling/dpgui ``` -- [PyPi](https://pypi.org/project/dpgui) (📥 17K / month): +- [PyPi](https://pypi.org/project/dpgui) (📥 14K / month): ``` pip install dpgui ``` @@ -291,49 +279,61 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K ``` git clone https://github.com/deepmodeling/deepmodeling_sphinx ``` -- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 3.1K / month): +- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.7K / month): ``` pip install deepmodeling_sphinx ```
-
DeePKS-kit (🥉10 · ⭐ 96) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0 +
JAX-FEM (🥉11 · ⭐ 210 · 📉) - Differentiable Finite Element Method with JAX. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 34 · 📋 19 - 31% open · ⏱️ 13.04.2024): +- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 7 · 🔀 33 · 📦 1 · 📋 25 - 72% open · ⏱️ 24.07.2024): ``` - git clone https://github.com/deepmodeling/deepks-kit + git clone https://github.com/deepmodeling/jax-fem + ``` +- [PyPi](https://pypi.org/project/jax-fem) (📥 130 / month): + ``` + pip install jax-fem ```
-
args (🥉10 · ⭐ 2) - DeepModeling dargs arguments generation. LGPL-3.0 +
GPUMD (🥉11 · ⭐ 3 · 🐣) - Graphics Processing Units Molecular Dynamics. GPL-3.0 -- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 08.07.2024): +- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 30 · ⏱️ 15.08.2024): ``` - git clone https://github.com/deepmodeling/args + git clone https://github.com/deepmodeling/GPUMD ``` -- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 190 / month): +
+
DeePKS-kit (🥉10 · ⭐ 96) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0 + +- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 35 · 📋 19 - 26% open · ⏱️ 13.04.2024): + ``` - npm install @deepmodeling/args + git clone https://github.com/deepmodeling/deepks-kit ```
-
dpti (🥉9 · ⭐ 19 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 +
dpti (🥉10 · ⭐ 19 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 19 · 🔀 20 · 📦 1 · ⏱️ 06.08.2024): +- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 19 · 🔀 20 · 📦 1 · ⏱️ 14.08.2024): ``` git clone https://github.com/deepmodeling/dpti ``` -- [PyPi](https://pypi.org/project/dpti) (📥 20 / month): +- [PyPi](https://pypi.org/project/dpti) (📥 43 / month): ``` pip install dpti ```
-
GPUMD (🥉9 · ⭐ 1 · 🐣) - Graphics Processing Units Molecular Dynamics. GPL-3.0 +
args (🥉9 · ⭐ 2) - DeepModeling dargs arguments generation. LGPL-3.0 -- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 30 · ⏱️ 03.08.2024): +- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 08.07.2024): ``` - git clone https://github.com/deepmodeling/GPUMD + git clone https://github.com/deepmodeling/args + ``` +- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 140 / month): + ``` + npm install @deepmodeling/args ```
fpop (🥉8 · ⭐ 2) - LGPL-3.0 @@ -343,7 +343,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K ``` git clone https://github.com/deepmodeling/fpop ``` -- [PyPi](https://pypi.org/project/fpop) (📥 640 / month): +- [PyPi](https://pypi.org/project/fpop) (📥 810 / month): ``` pip install fpop ``` @@ -371,7 +371,7 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K ``` git clone https://github.com/deepmodeling/fealpy ``` -- [PyPi](https://pypi.org/project/fealpy) (📥 82 / month): +- [PyPi](https://pypi.org/project/fealpy) (📥 88 / month): ``` pip install fealpy ``` @@ -396,7 +396,15 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K docker pull dptechnology/unifold ```
-
AIS-Square (🥉6 · ⭐ 9 · 💤) - LGPL-3.0 +
tutorials (🥉6 · ⭐ 13 · 💤) - Tutorials for DeepModeling projects. Unlicensed + +- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 10 · 🔀 22 · ⏱️ 26.09.2022): + + ``` + git clone https://github.com/deepmodeling/tutorials + ``` +
+
AIS-Square (🥉6 · ⭐ 10 · 💤) - LGPL-3.0 - [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 06.12.2023): @@ -420,14 +428,6 @@ This curated list contains 38 awesome open-source projects with a total of 3.3K git clone https://github.com/deepmodeling/AI4Science101 ```
-
tutorials (🥉5 · ⭐ 13 · 💤) - Tutorials for DeepModeling projects. Unlicensed - -- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 10 · 🔀 22 · ⏱️ 26.09.2022): - - ``` - git clone https://github.com/deepmodeling/tutorials - ``` -
DeePDih (🥉5 · ⭐ 3 · 🐣) - Deep Potential driven molecular dihedral scan toolkit. MIT - [GitHub](https://github.com/deepmodeling/DeePDih) (🔀 2 · ⏱️ 19.04.2024): diff --git a/history/2024-08-15_changes.md b/history/2024-08-15_changes.md new file mode 100644 index 0000000..d75316a --- /dev/null +++ b/history/2024-08-15_changes.md @@ -0,0 +1,20 @@ +## 📈 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._ + +- ABACUS (🥇26 · ⭐ 150 · 📈) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 +- DeePTB (🥈16 · ⭐ 40 · 📈) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0 +- GPUMD (🥉11 · ⭐ 3 · 🐣) - Graphics Processing Units Molecular Dynamics. GPL-3.0 +- dpti (🥉10 · ⭐ 19 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 +- tutorials (🥉6 · ⭐ 13 · 💤) - 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._ + +- dpdata (🥇23 · ⭐ 200 · 📉) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. LGPL-3.0 +- reacnetgenerator (🥈19 · ⭐ 63 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +- dargs (🥈19 · ⭐ 5 · 📉) - Argument processing for the deep modeling project. LGPL-3.0 +- rid-kit (🥈13 · ⭐ 42 · 📉) - Reinforced dynamics. LGPL-3.0 +- JAX-FEM (🥉11 · ⭐ 210 · 📉) - Differentiable Finite Element Method with JAX. GPL-3.0 + diff --git a/history/2024-08-15_projects.csv b/history/2024-08-15_projects.csv new file mode 100644 index 0000000..48a08a8 --- /dev/null +++ b/history/2024-08-15_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 15:23:44,2024-08-14 02:32:59,2024-07-06 15:29:41,2533,32.0,476.0,47.0,1984.0,79.0,667.0,1429.0,2024-07-03 19:22:15,2.2.11,38201.0,23595.0,49.0,A deep learning package for many-body potential energy representation and molecular dynamics.,16.0,16.0,69.0,https://pypi.org/project/deepmd-kit,1372.0,https://anaconda.org/conda-forge/deepmd-kit,2024-07-27 05:59:01.371,860137.0,https://www.npmjs.com/package/deepmd-kit,17.0,https://hub.docker.com/r/deepmodeling/deepmd-kit,2024-07-27 08:24:51.741318,1.0,2714.0,28,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 04:04:52,2024-08-15 14:05:29,2024-08-15 09:21:36,6640,387.0,126.0,11.0,3105.0,211.0,1567.0,153.0,2024-08-12 07:52:22,3.7.3,,8704.0,54.0,An electronic structure package based on either plane wave basis or numerical atomic orbitals.,,,118.0,,,https://anaconda.org/conda-forge/abacus,2024-08-13 02:51:33.714,113153.0,,,,,,,26,True,others,1.0,1.0 +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 13:24:23,2024-08-13 00:50:09,2024-06-06 00:03:38,724,6.0,122.0,9.0,477.0,16.0,80.0,195.0,2024-06-06 00:06:28,0.2.19,,32533.0,35.0,"Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.",122.0,122.0,60.0,https://pypi.org/project/dpdata,30991.0,https://anaconda.org/conda-forge/dpdata,2024-06-06 04:58:08.772,73585.0,,,https://hub.docker.com/r/dptechnology/dpdata,2023-06-02 09:30:14.674068,,628.0,23,True,others,1.0,-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 11:43:56,2024-08-13 00:50:19,2024-04-10 06:31:36,2083,,167.0,13.0,835.0,31.0,261.0,290.0,2024-04-10 06:37:07,0.12.1,1745.0,958.0,18.0,The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field.,6.0,6.0,64.0,https://pypi.org/project/dpgen,317.0,https://anaconda.org/conda-forge/dpgen,2024-04-10 09:44:30.012,30599.0,,,,,,,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 05:14:37,2024-08-12 21:49:37,2024-08-03 23:03:03,1082,18.0,53.0,6.0,380.0,15.0,60.0,42.0,2024-07-25 20:09:38,0.6.6,,5106.0,46.0,generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish.,50.0,50.0,46.0,https://pypi.org/project/dpdispatcher,2243.0,https://anaconda.org/conda-forge/dpdispatcher,2024-07-26 02:15:35.159,11750.0,,,https://hub.docker.com/r/dptechnology/dpdispatcher,2024-07-25 20:13:29.078525,,103547.0,22,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 15:07:56,2024-08-12 21:49:50,2024-08-09 21:15:53,2487,12.0,35.0,9.0,2119.0,4.0,120.0,63.0,2024-05-09 23:35:17,1.6.13,,7542.0,100.0,an automatic reaction network generator for reactive molecular dynamics simulation.,2.0,2.0,18.0,https://pypi.org/project/reacnetgenerator,432.0,https://anaconda.org/conda-forge/reacnetgenerator,2024-05-10 07:03:30.570,362643.0,,,,,,,19,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 08:14:36,2024-08-07 02:33:46,2024-08-07 02:32:52,2068,93.0,25.0,1.0,813.0,14.0,21.0,60.0,2024-08-06 02:55:43,1.8.85,,245.0,100.0,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,2024-08-06 02:57:15.823479,,7622.0,19,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 22:20:28,2024-08-12 21:49:34,2024-07-17 20:31:43,151,13.0,3.0,7.0,69.0,2.0,6.0,5.0,2024-07-15 00:16:52,0.4.8,,52848.0,29.0,Argument processing for the deep modeling project.,122.0,122.0,7.0,https://pypi.org/project/dargs,52137.0,https://anaconda.org/conda-forge/dargs,2024-07-15 04:32:31.846,28457.0,,,,,,,19,True,others,2.0,-1.0 +8,DPGEN2,deepmodeling/dpgen2,dpgen2,,,dptechnology/dpgen2,https://github.com/deepmodeling/dpgen2,https://github.com/deepmodeling/dpgen2,LGPL-3.0,2022-02-28 02:41:16,2024-08-15 09:49:06,2024-08-13 00:50:37,305,26.0,24.0,7.0,213.0,9.0,23.0,31.0,2023-01-28 03:43:25,0.0.7,,167.0,7.0,2nd generation of the Deep Potential GENerator.,4.0,4.0,14.0,https://pypi.org/project/dpgen2,55.0,,,,,,https://hub.docker.com/r/dptechnology/dpgen2,2024-08-13 01:24:21.994096,,3371.0,17,True,others,2.0, +9,DeepFlame,deepmodeling/deepflame-dev,,,,,https://github.com/deepmodeling/deepflame-dev,https://github.com/deepmodeling/deepflame-dev,GPL-3.0,2022-06-12 10:25:12,2024-08-12 05:24:22,2024-08-05 10:31:45,1065,11.0,58.0,7.0,454.0,17.0,29.0,130.0,2024-03-02 04:46:26,1.3.1,,,19.0,A deep learning empowered open-source platform for reacting flow simulations.,,,24.0,,,,,,,,,,,,16,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 03:19:42,2024-08-15 08:20:00,2024-08-15 08:19:54,744,54.0,14.0,3.0,167.0,7.0,27.0,40.0,2024-08-15 03:02:38,2.1.1,,145.0,11.0,DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.,1.0,1.0,9.0,https://pypi.org/project/dptb,145.0,,,,,,,,,,16,True,others,2.0,1.0 +11,DMFF,deepmodeling/DMFF,,conda-forge/dmff,,,https://github.com/deepmodeling/DMFF,https://github.com/deepmodeling/DMFF,LGPL-3.0,2022-02-14 01:35:50,2024-07-23 03:11:30,2024-01-12 00:58:20,431,,40.0,9.0,158.0,10.0,16.0,146.0,2023-11-09 14:32:37,1.0.0,,95.0,4.0,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 07:33:02.470,666.0,,,,,,,13,True,others,2.0, +12,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 07:19:30,2024-06-27 07:19:24,475,2.0,21.0,5.0,21.0,1.0,3.0,42.0,2024-05-14 03:25:35,0.6.4,144.0,56.0,5.0,Reinforced dynamics.,1.0,1.0,14.0,https://pypi.org/project/rid-kit,52.0,,,,,,,,,,13,True,others,2.0,-1.0 +13,APEX,deepmodeling/APEX,apex-flow,,,,https://github.com/deepmodeling/APEX,https://github.com/deepmodeling/APEX,LGPL-3.0,2023-04-20 06:13:42,2024-08-08 01:57:28,2024-05-06 09:59:20,529,,16.0,7.0,70.0,,6.0,20.0,2024-05-06 10:01:52,1.2.0,,452.0,4.0,APEX: Alloy Properties EXplorer using simulations.,1.0,1.0,6.0,https://pypi.org/project/apex-flow,452.0,,,,,,,,,,13,True,others,2.0, +14,DP-GUI,deepmodeling/dpgui,dpgui,,,,https://github.com/deepmodeling/dpgui,https://github.com/deepmodeling/dpgui,LGPL-3.0,2021-07-21 18:48:23,2024-08-12 21:49:50,2024-05-31 07:44:25,304,2.0,4.0,6.0,473.0,,1.0,7.0,2023-10-13 05:16:09,1.0.0,,13828.0,4.0,A web-based GUI for user inputs.,8.0,8.0,3.0,https://pypi.org/project/dpgui,13828.0,,,,,,,,,,13,True,others,2.0, +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 00:19:06,2024-08-12 21:49:51,2024-08-06 19:25:57,71,5.0,6.0,5.0,63.0,,,2.0,2024-07-18 07:27:48,0.2.9,,2666.0,22.0,Sphinx extension for DeepModeling projects.,,,7.0,https://pypi.org/project/deepmodeling_sphinx,2666.0,,,,,,,,,,12,True,others,3.0, +16,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 15:20:54,2024-07-24 03:24:24,2024-07-24 03:24:10,190,2.0,33.0,11.0,4.0,18.0,7.0,213.0,,,,131.0,,Differentiable Finite Element Method with JAX.,1.0,1.0,7.0,https://pypi.org/project/jax-fem,131.0,,,,,,,,,,11,True,others,3.0,-2.0 +17,GPUMD,deepmodeling/GPUMD,,,,,https://github.com/deepmodeling/GPUMD,https://github.com/deepmodeling/GPUMD,GPL-3.0,2024-06-18 05:40:21,2024-08-15 17:12:49,2024-08-15 17:05:58,3944,215.0,,,,,,3.0,,,,,,Graphics Processing Units Molecular Dynamics.,,,30.0,,,,,,,,,,,,11,True,others,3.0,2.0 +18,DeePKS-kit,deepmodeling/deepks-kit,,,,,https://github.com/deepmodeling/deepks-kit,https://github.com/deepmodeling/deepks-kit,LGPL-3.0,2020-07-29 03:27:50,2024-08-08 16:28:48,2024-04-13 03:44:40,384,,35.0,14.0,44.0,5.0,14.0,96.0,,,,,,a package for developing machine learning-based chemically accurate energy and density functional models.,,,7.0,,,,,,,,,,,,10,True,others,3.0, +19,dpti,deepmodeling/dpti,dpti,,,,https://github.com/deepmodeling/dpti,https://github.com/deepmodeling/dpti,LGPL-3.0,2021-04-04 13:57:37,2024-08-14 03:08:53,2024-08-14 03:08:53,406,12.0,20.0,7.0,70.0,7.0,,19.0,,,,43.0,,A Python Package to Automate Thermodynamic Integration Calculations for Free Energy.,1.0,1.0,19.0,https://pypi.org/project/dpti,43.0,,,,,,,,,,10,True,others,3.0,1.0 +20,args,deepmodeling/args,,,@deepmodeling/args,,https://github.com/deepmodeling/args,https://github.com/deepmodeling/args,LGPL-3.0,2021-12-27 03:27:24,2024-07-29 15:43:36,2024-07-08 20:09:54,73,2.0,2.0,6.0,46.0,,,2.0,2024-04-11 23:49:50,0.0.17,,138.0,16.0,DeepModeling dargs arguments generation.,5.0,5.0,3.0,,,,,,https://www.npmjs.com/package/@deepmodeling/args,138.0,,,,,9,True,others,3.0, +21,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 09:11:36,2024-07-01 09:11:36,42,4.0,11.0,9.0,24.0,4.0,,2.0,,,,808.0,,,8.0,8.0,4.0,https://pypi.org/project/fpop,808.0,,,,,,,,,,8,True,others,3.0, +22,community,deepmodeling/community,,,,,https://github.com/deepmodeling/community,https://github.com/deepmodeling/community,,2021-05-06 04:50:02,2024-08-13 03:18:42,2024-07-12 03:17:20,124,18.0,20.0,11.0,40.0,,2.0,79.0,,,,,,DeepModeling community content.,,,17.0,,,,,,,,,,,,7,True,others,3.0, +23,tbplas,deepmodeling/tbplas,,,,,https://github.com/deepmodeling/tbplas,https://github.com/deepmodeling/tbplas,,2024-02-29 03:21:24,2024-04-11 02:16:51,2024-01-17 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,,,,,,,,,,,,7,True,others,3.0, +24,fealpy,deepmodeling/fealpy,fealpy,,,,https://github.com/deepmodeling/fealpy,https://github.com/deepmodeling/fealpy,,2023-04-10 03:58:57,2024-04-24 03:09:27,2024-04-24 01:36:31,6125,,2.0,1.0,1.0,,,3.0,,,,88.0,,Finite Element Analysis Library in Python.,,,57.0,https://pypi.org/project/fealpy,88.0,,,,,,,,,,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 23:11:55,2024-07-09 21:04:11,2024-07-01 21:29:34,170,3.0,7.0,6.0,102.0,,,1.0,,,,,,DeepModeling Blog.,,,7.0,,,,,,,,,,,,7,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 02:15:21,2022-08-18 15:27:32,29,,18.0,5.0,2.0,,1.0,91.0,,,,20.0,,,,,3.0,,,,,,,,https://hub.docker.com/r/dptechnology/unifold,2024-01-08 06:24:09.367953,,670.0,6,True,others,3.0, +27,tutorials,deepmodeling/tutorials,,,,,https://github.com/deepmodeling/tutorials,https://github.com/deepmodeling/tutorials,,2022-03-07 06:19:19,2024-08-09 19:23:14,2022-09-26 07:49:48,136,,22.0,5.0,65.0,,2.0,13.0,,,,,,Tutorials for DeepModeling projects.,,,10.0,,,,,,,,,,,,6,True,others,3.0,1.0 +28,AIS-Square,deepmodeling/AIS-Square,,,,,https://github.com/deepmodeling/AIS-Square,https://github.com/deepmodeling/AIS-Square,LGPL-3.0,2022-09-13 09:52:30,2024-07-30 13:14:00,2023-12-06 03:06:55,469,,8.0,8.0,210.0,5.0,1.0,10.0,,,,,,,,,8.0,,,,,,,,,,,,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 04:19:01,2024-04-11 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 02:15:55,2022-09-04 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 14:34:36,2024-04-19 07:37:47,61,,2.0,2.0,,,,3.0,,,,,,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 02:16:01,2023-12-28 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 02:15:41,2022-12-29 11:58:55,9,,7.0,5.0,12.0,,,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 02:15:25,2022-02-15 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 02:16:14,2023-04-10 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 02:15:14,2021-10-06 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 02:15:58,2022-07-06 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 5cabbd8..d75316a 100644 --- a/latest-changes.md +++ b/latest-changes.md @@ -2,15 +2,19 @@ _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 (🥈20 · ⭐ 63 · 📈) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 -- DeepFlame (🥈16 · ⭐ 130 · 📈) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 -- dpti (🥉9 · ⭐ 19 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 +- ABACUS (🥇26 · ⭐ 150 · 📈) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 +- DeePTB (🥈16 · ⭐ 40 · 📈) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0 +- GPUMD (🥉11 · ⭐ 3 · 🐣) - Graphics Processing Units Molecular Dynamics. GPL-3.0 +- dpti (🥉10 · ⭐ 19 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 +- tutorials (🥉6 · ⭐ 13 · 💤) - 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._ -- DeePTB (🥈15 · ⭐ 37 · 📉) - DeePTB: A deep learning package for tight-binding approach with ab initio accuracy. LGPL-3.0 -- APEX (🥈13 · ⭐ 20 · 📉) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 -- DP-GUI (🥈13 · ⭐ 7 · 📉) - A web-based GUI for user inputs. LGPL-3.0 +- dpdata (🥇23 · ⭐ 200 · 📉) - Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc. LGPL-3.0 +- reacnetgenerator (🥈19 · ⭐ 63 · 📉) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 +- dargs (🥈19 · ⭐ 5 · 📉) - Argument processing for the deep modeling project. LGPL-3.0 +- rid-kit (🥈13 · ⭐ 42 · 📉) - Reinforced dynamics. LGPL-3.0 +- JAX-FEM (🥉11 · ⭐ 210 · 📉) - Differentiable Finite Element Method with JAX. GPL-3.0