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https://github.com/deepmodeling/deepmodeling-projects

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https://github.com/deepmodeling/deepmodeling-projects
List: deepmodeling-projects
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DeepModeling projects
Host: GitHub
URL: https://github.com/deepmodeling/deepmodeling-projects
Owner: deepmodeling
License: cc-by-sa-4.0
Created: 2023-10-31T02:20:45.000Z (about 1 year ago)
Default Branch: main
Last Pushed: 2024-08-08T20:18:14.000Z (3 months ago)
Last Synced: 2024-08-09T21:12:28.575Z (3 months ago)
Topics: awesome-list
Size: 2.67 MB
Stars: 3
Watchers: 3
Forks: 2
Open Issues: 0
Metadata Files:
- Readme: README.md
- Changelog: history/2023-10-31_changes.md
- Contributing: CONTRIBUTING.md
- License: LICENSE
- Code of conduct: .github/CODE_OF_CONDUCT.md
Awesome Lists containing this project

ultimate-awesome - deepmodeling-projects - DeepModeling projects. (Other Lists / PowerShell Lists)
README

        


    deepmodeling-projects

    






    🏆  A ranked list of awesome projects. Updated weekly.





    

    

    

    



This curated list contains 38 awesome open-source projects with a total of 3.3K stars grouped into 0 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [issue](https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose), submit a [pull request](https://github.com/deepmodeling/deepmodeling-projects/pulls), or directly edit the [projects.yaml](https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml). Contributions are very welcome!

> 🧙‍♂️  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).

## Contents

- [Others](#others) _38 projects_

## Explanation

- 🥇🥈🥉  Combined project-quality score

- ⭐️  Star count from GitHub

- 🐣  New project _(less than 6 months old)_

- 💤  Inactive project _(6 months no activity)_

- 💀  Dead project _(999999999 months no activity)_

- 📈📉  Project is trending up or down

- ➕  Project was recently added

- 👨‍💻  Contributors count from GitHub

- 🔀  Fork count from GitHub

- 📋  Issue count from GitHub

- ⏱️  Last update timestamp on package manager

- 📥  Download count from package manager

- 📦  Number of dependent projects




## Others



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 · 🔀 470 · 📥 37K · 📦 16 · 📋 740 - 10% open · ⏱️ 06.07.2024):

	```

	git clone https://github.com/deepmodeling/deepmd-kit

	```

- [PyPi](https://pypi.org/project/deepmd-kit) (📥 1.7K / month):

	```

	pip install deepmd-kit

	```

- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 790K · ⏱️ 14.07.2024):

	```

	conda install -c conda-forge deepmd-kit

	```

- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 34 / month):

	```

	npm install deepmd-kit

	```

- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 2.6K · ⭐ 1 · ⏱️ 08.07.2024):

	```

	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

- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 120 · 🔀 120 · 📋 1.7K - 10% open · ⏱️ 25.07.2024):

	```

	git clone https://github.com/deepmodeling/abacus-develop

	```

- [Conda](https://anaconda.org/conda-forge/abacus) (📥 88K · ⏱️ 13.07.2024):

	```

	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

- [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) (📥 50K / month):

	```

	pip install dpdata

	```

- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 72K · ⏱️ 06.06.2024):

	```

	conda install -c conda-forge dpdata

	```

- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 630 · ⏱️ 02.06.2023):

	```

	docker pull dptechnology/dpdata

	```

DP-GEN (🥇22 ·  ⭐ 290) - 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 · 📥 1.7K · 📦 6 · 📋 290 - 10% open · ⏱️ 10.04.2024):

	```

	git clone https://github.com/deepmodeling/dpgen

	```

- [PyPi](https://pypi.org/project/dpgen) (📥 440 / month):

	```

	pip install dpgen

	```

- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 30K · ⏱️ 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) (👨‍💻 46 · 🔀 53 · 📦 48 · 📋 73 - 23% open · ⏱️ 25.07.2024):

	```

	git clone https://github.com/deepmodeling/dpdispatcher

	```

- [PyPi](https://pypi.org/project/dpdispatcher) (📥 1.7K / month):

	```

	pip install dpdispatcher

	```

- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 11K · ⏱️ 01.06.2024):

	```

	conda install -c conda-forge dpdispatcher

	```

- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 100K · ⏱️ 27.05.2024):

	```

	docker pull dptechnology/dpdispatcher

	```

reacnetgenerator (🥈20 ·  ⭐ 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 · ⏱️ 18.07.2024):

	```

	git clone https://github.com/deepmodeling/reacnetgenerator

	```

- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 1.5K / month):

	```

	pip install reacnetgenerator

	```

- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 350K · ⏱️ 10.05.2024):

	```

	conda install -c conda-forge reacnetgenerator

	```

dargs (🥈20 ·  ⭐ 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) (📥 82K / month):

	```

	pip install dargs

	```

- [Conda](https://anaconda.org/conda-forge/dargs) (📥 27K · ⏱️ 15.07.2024):

	```

	conda install -c conda-forge dargs

	```

dflow (🥈19 ·  ⭐ 58 · 📈) - 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 · ⏱️ 16.07.2024):

	```

	git clone https://github.com/deepmodeling/dflow

	```

- [PyPi](https://pypi.org/project/dflow):

	```

	pip install dflow

	```

- [Conda](https://anaconda.org/conda-forge/dflow):

	```

	conda install -c conda-forge dflow

	```

- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 5.6K · ⏱️ 16.07.2024):

	```

	docker pull dptechnology/dflow

	```

DeePTB (🥈17 ·  ⭐ 37) - 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):

	```

	git clone https://github.com/deepmodeling/DeePTB

	```

- [PyPi](https://pypi.org/project/dptb) (📥 210 / month):

	```

	pip install dptb

	```

DPGEN2 (🥈17 ·  ⭐ 31) - 2nd generation of the Deep Potential GENerator. LGPL-3.0

- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 14 · 🔀 23 · 📦 4 · 📋 32 - 28% open · ⏱️ 23.07.2024):

	```

	git clone https://github.com/deepmodeling/dpgen2

	```

- [PyPi](https://pypi.org/project/dpgen2) (📥 66 / month):

	```

	pip install dpgen2

	```

- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 2.9K · ⏱️ 23.07.2024):

	```

	docker pull dptechnology/dpgen2

	```

DeepFlame (🥈15 ·  ⭐ 130) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0

- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 23 · 🔀 56 · 📋 45 - 35% open · ⏱️ 11.07.2024):

	```

	git clone https://github.com/deepmodeling/deepflame-dev

	```

JAX-FEM (🥈14 ·  ⭐ 210) - Differentiable Finite Element Method with JAX. GPL-3.0

- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 7 · 🔀 33 · 📦 1 · 📋 24 - 70% open · ⏱️ 24.07.2024):

	```

	git clone https://github.com/deepmodeling/jax-fem

	```

- [PyPi](https://pypi.org/project/jax-fem) (📥 290 / month):

	```

	pip install jax-fem

	```

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) (📥 67 / month):

	```

	pip install rid-kit

	```

APEX (🥈14 ·  ⭐ 19 · 📈) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0

- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 6 · 🔀 15 · 📦 1 · ⏱️ 06.05.2024):

	```

	git clone https://github.com/deepmodeling/APEX

	```

- [PyPi](https://pypi.org/project/apex-flow) (📥 210 / month):

	```

	pip install apex-flow

	```

DP-GUI (🥈14 ·  ⭐ 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) (📥 20K / month):

	```

	pip install dpgui

	```

DMFF (🥉13 ·  ⭐ 140) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0

- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 14 · 🔀 40 · 📋 26 - 38% open · ⏱️ 12.01.2024):

	```

	git clone https://github.com/deepmodeling/DMFF

	```

- [Conda](https://anaconda.org/conda-forge/dmff) (📥 580 · ⏱️ 06.01.2024):

	```

	conda install -c conda-forge dmff

	```

deepmodeling_sphinx (🥉12 ·  ⭐ 2) - Sphinx extension for DeepModeling projects. LGPL-3.0

- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 7 · 🔀 6 · ⏱️ 18.07.2024):

	```

	git clone https://github.com/deepmodeling/deepmodeling_sphinx

	```

- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 3.5K / 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

- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 33 · 📋 18 - 27% open · ⏱️ 13.04.2024):

	```

	git clone https://github.com/deepmodeling/deepks-kit

	```

args (🥉10 ·  ⭐ 2) - DeepModeling dargs arguments generation. LGPL-3.0

- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 08.07.2024):

	```

	git clone https://github.com/deepmodeling/args

	```

- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 180 / month):

	```

	npm install @deepmodeling/args

	```

GPUMD (🥉9 ·  ⭐ 1 · 🐣) - Graphics Processing Units Molecular Dynamics. GPL-3.0

- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 29 · ⏱️ 03.07.2024):

	```

	git clone https://github.com/deepmodeling/GPUMD

	```

dpti (🥉8 ·  ⭐ 19 · 📈) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0

- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 16 · 🔀 20 · 📦 1 · ⏱️ 19.07.2024):

	```

	git clone https://github.com/deepmodeling/dpti

	```

- [PyPi](https://pypi.org/project/dpti) (📥 16 / month):

	```

	pip install dpti

	```

fpop (🥉8 ·  ⭐ 2) -  LGPL-3.0

- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 11 · 📦 7 · ⏱️ 01.07.2024):

	```

	git clone https://github.com/deepmodeling/fpop

	```

- [PyPi](https://pypi.org/project/fpop) (📥 840 / month):

	```

	pip install fpop

	```

Uni-Fold (🥉7 ·  ⭐ 90 · 💤) -  Apache-2

- [GitHub](https://github.com/deepmodeling/Uni-Fold) (👨‍💻 3 · 🔀 18 · ⏱️ 18.08.2022):

	```

	git clone https://github.com/deepmodeling/Uni-Fold

	```

- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 660 · ⏱️ 08.01.2024):

	```

	docker pull dptechnology/unifold

	```

community (🥉7 ·  ⭐ 78) - DeepModeling community content. Unlicensed

- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 17 · 🔀 20 · ⏱️ 12.07.2024):

	```

	git clone https://github.com/deepmodeling/community

	```

fealpy (🥉7 ·  ⭐ 3 · 📉) - Finite Element Analysis Library in Python. Unlicensed

- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 57 · 🔀 2 · ⏱️ 24.04.2024):

	```

	git clone https://github.com/deepmodeling/fealpy

	```

- [PyPi](https://pypi.org/project/fealpy) (📥 77 / month):

	```

	pip install fealpy

	```

Blog (🥉7 ·  ⭐ 1) - DeepModeling Blog. LGPL-3.0

- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 7 · 🔀 7 · ⏱️ 01.07.2024):

	```

	git clone https://github.com/deepmodeling/blog

	```

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 ·  ⭐ 9 · 💤) -  LGPL-3.0

- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 06.12.2023):

	```

	git clone https://github.com/deepmodeling/AIS-Square

	```

tbplas (🥉6 ·  ⭐ 6 · 🐣) - Repository of TBPLaS (tight-binding package for large-scale simulation). Unlicensed

- [GitHub](https://github.com/deepmodeling/tbplas) (👨‍💻 10 · 🔀 4 · ⏱️ 17.01.2024):

	```

	git clone https://github.com/deepmodeling/tbplas

	```

docs (🥉6 ·  ⭐ 3) - The home page of DeepModeling documentation. LGPL-3.0

- [GitHub](https://github.com/deepmodeling/docs) (👨‍💻 8 · 🔀 7 · ⏱️ 11.04.2024):

	```

	git clone https://github.com/deepmodeling/docs

	```

AI4Science101 (🥉5 ·  ⭐ 83 · 💤) - AI for Science. Unlicensed

- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 13 · ⏱️ 04.09.2022):

	```

	git clone https://github.com/deepmodeling/AI4Science101

	```

DeePDih (🥉5 ·  ⭐ 3 · 🐣) - Deep Potential driven molecular dihedral scan toolkit. MIT

- [GitHub](https://github.com/deepmodeling/DeePDih) (🔀 2 · ⏱️ 19.04.2024):

	```

	git clone https://github.com/deepmodeling/DeePDih

	```

DeepH-pack (🥉4 ·  ⭐ 11 · 💤) - 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):

	```

	git clone https://github.com/deepmodeling/DeepH-pack

	```

tutorials-cn (🥉4 ·  ⭐ 3 · 💤) -  LGPL-2.1

- [GitHub](https://github.com/deepmodeling/tutorials-cn) (👨‍💻 4 · 🔀 7 · ⏱️ 29.12.2022):

	```

	git clone https://github.com/deepmodeling/tutorials-cn

	```

ADMP (🥉2 ·  ⭐ 2 · 💤) - Automatic Differentiation Multipole Moment Molecular Forcefield. Unlicensed

- [GitHub](https://github.com/deepmodeling/ADMP) (👨‍💻 7 · 🔀 2 · ⏱️ 15.02.2022):

	```

	git clone https://github.com/deepmodeling/ADMP

	```

LibRI (🥉1 ·  ⭐ 6 · 💤) -  GPL-3.0

- [GitHub](https://github.com/deepmodeling/LibRI) (👨‍💻 2 · 🔀 1 · 📋 3 - 66% open · ⏱️ 10.04.2023):

	```

	git clone https://github.com/deepmodeling/LibRI

	```

openfinite ( ⭐ 1 · 💤) -  LGPL-3.0

- [GitHub](https://github.com/deepmodeling/openfinite) (👨‍💻 2 · 🔀 1 · ⏱️ 06.10.2021):

	```

	git clone https://github.com/deepmodeling/openfinite

	```

dflow-op-cutter (💤) -  Unlicensed

- [GitHub](https://github.com/deepmodeling/dflow-op-cutter) (👨‍💻 2 · 🔀 1 · ⏱️ 06.07.2022):

	```

	git clone https://github.com/deepmodeling/dflow-op-cutter

	```

---

## Related Resources

- [**Best-of lists**](https://best-of.org): Discover other best-of lists with awesome open-source projects on all kinds of topics.

## Contribution

Contributions are encouraged and always welcome! If you like to add or update projects, choose one of the following ways:

- Open an issue by selecting one of the provided categories from the [issue page](https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose) and fill in the requested information.

- Modify the [projects.yaml](https://github.com/deepmodeling/deepmodeling-projects/blob/main/projects.yaml) with your additions or changes, and submit a pull request. This can also be done directly via the [Github UI](https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml).

If you like to contribute to or share suggestions regarding the project metadata collection or markdown generation, please refer to the [best-of-generator](https://github.com/best-of-lists/best-of-generator) repository. If you like to create your own best-of list, we recommend to follow [this guide](https://github.com/best-of-lists/best-of/blob/main/create-best-of-list.md).

For more information on how to add or update projects, please read the [contribution guidelines](https://github.com/deepmodeling/deepmodeling-projects/blob/main/CONTRIBUTING.md). By participating in this project, you agree to abide by its [Code of Conduct](https://github.com/deepmodeling/deepmodeling-projects/blob/main/.github/CODE_OF_CONDUCT.md).

## License

[![CC0](https://mirrors.creativecommons.org/presskit/buttons/88x31/svg/by-sa.svg)](https://creativecommons.org/licenses/by-sa/4.0/)