# deepmodeling-projects **Repository Path**: deepmodeling/deepmodeling-projects ## Basic Information - **Project Name**: deepmodeling-projects - **Description**: No description available - **Primary Language**: Unknown - **License**: CC-BY-SA-4.0 - **Default Branch**: main - **Homepage**: None - **GVP Project**: No ## Statistics - **Stars**: 0 - **Forks**: 0 - **Created**: 2024-04-12 - **Last Updated**: 2025-12-26 ## Categories & Tags **Categories**: Uncategorized **Tags**: None ## README

deepmodeling-projects

🏆  A ranked list of awesome projects. Updated weekly.

This curated list contains 38 awesome open-source projects with a total of 4.6K 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 Back to top
DeePMD-kit (🥇29 · ⭐ 1.8K) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 84 · 🔀 560 · 📥 65K · 📦 41 · 📋 950 - 9% open · ⏱️ 23.12.2025): ``` git clone https://github.com/deepmodeling/deepmd-kit ``` - [PyPi](https://pypi.org/project/deepmd-kit) (📥 9.6K / month): ``` pip install deepmd-kit ``` - [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.4M · ⏱️ 22.12.2025): ``` conda install -c conda-forge deepmd-kit ``` - [npm](https://www.npmjs.com/package/deepmd-kit) (📥 4 / month): ``` npm install deepmd-kit ``` - [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 4.8K · ⭐ 1 · ⏱️ 12.11.2025): ``` docker pull deepmodeling/deepmd-kit ```
DP-GEN (🥇24 · ⭐ 370) - 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) (👨‍💻 73 · 🔀 180 · 📥 2K · 📦 8 · 📋 330 - 10% open · ⏱️ 23.12.2025): ``` git clone https://github.com/deepmodeling/dpgen ``` - [PyPi](https://pypi.org/project/dpgen) (📥 790 / month): ``` pip install dpgen ``` - [Conda](https://anaconda.org/conda-forge/dpgen) (📥 47K · ⏱️ 07.08.2025): ``` conda install -c conda-forge dpgen ```
dpdata (🥇24 · ⭐ 240) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 68 · 🔀 140 · 📦 150 · 📋 130 - 20% open · ⏱️ 23.12.2025): ``` git clone https://github.com/deepmodeling/dpdata ``` - [PyPi](https://pypi.org/project/dpdata) (📥 24K / month): ``` pip install dpdata ``` - [Conda](https://anaconda.org/conda-forge/dpdata) (📥 120K · ⏱️ 21.10.2025): ``` conda install -c conda-forge dpdata ``` - [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 690 · ⏱️ 02.06.2023): ``` docker pull dptechnology/dpdata ```
ABACUS (🥇24 · ⭐ 230) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 140 · 🔀 150 · 📋 2.4K - 7% open · ⏱️ 25.12.2025): ``` git clone https://github.com/deepmodeling/abacus-develop ``` - [Conda](https://anaconda.org/conda-forge/abacus) (📥 560K · ⏱️ 20.12.2025): ``` conda install -c conda-forge abacus ```
dpdispatcher (🥈23 · ⭐ 53) - 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) (👨‍💻 48 · 🔀 56 · 📦 69 · 📋 96 - 18% open · ⏱️ 21.12.2025): ``` git clone https://github.com/deepmodeling/dpdispatcher ``` - [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.7K / month): ``` pip install dpdispatcher ``` - [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 37K · ⏱️ 11.11.2025): ``` conda install -c conda-forge dpdispatcher ``` - [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 140K · ⏱️ 11.11.2025): ``` docker pull dptechnology/dpdispatcher ```
reacnetgenerator (🥈18 · ⭐ 95) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 42 · 📦 3 · 📋 130 - 5% open · ⏱️ 02.10.2025): ``` git clone https://github.com/deepmodeling/reacnetgenerator ``` - [PyPi](https://pypi.org/project/reacnetgenerator) (📥 1.1K / month): ``` pip install reacnetgenerator ``` - [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 710K · ⏱️ 11.11.2025): ``` conda install -c conda-forge reacnetgenerator ```
dflow (🥈17 · ⭐ 78 · 📉) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 29 · 📋 36 - 36% open · ⏱️ 23.09.2025): ``` 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) (📥 17K · ⏱️ 23.09.2025): ``` docker pull dptechnology/dflow ```
DeepFlame (🥈16 · ⭐ 200) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0 - [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 29 · 🔀 72 · 📋 60 - 43% open · ⏱️ 23.07.2025): ``` git clone https://github.com/deepmodeling/deepflame-dev ```
DeePTB (🥈16 · ⭐ 94) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 14 · 🔀 25 · 📦 4 · 📋 57 - 31% open · ⏱️ 24.12.2025): ``` git clone https://github.com/deepmodeling/DeePTB ``` - [PyPi](https://pypi.org/project/dptb) (📥 180 / month): ``` pip install dptb ```
DPGEN2 (🥈16 · ⭐ 40) - 2nd generation of the Deep Potential GENerator. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 19 · 🔀 36 · 📦 6 · 📋 45 - 37% open · ⏱️ 02.12.2025): ``` git clone https://github.com/deepmodeling/dpgen2 ``` - [PyPi](https://pypi.org/project/dpgen2) (📥 94 / month): ``` pip install dpgen2 ``` - [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 4.2K · ⏱️ 02.12.2025): ``` docker pull dptechnology/dpgen2 ```
dargs (🥈16 · ⭐ 6) - Argument processing for the deep modeling project. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 7 · 🔀 3 · 📦 150 · 📋 9 - 22% open · ⏱️ 17.12.2025): ``` git clone https://github.com/deepmodeling/dargs ``` - [PyPi](https://pypi.org/project/dargs) (📥 32K / month): ``` pip install dargs ``` - [Conda](https://anaconda.org/conda-forge/dargs) (📥 57K · ⏱️ 22.04.2025): ``` conda install -c conda-forge dargs ```
JAX-FEM (🥈15 · ⭐ 550 · 📉) - Differentiable Finite Element Method with JAX. GPL-3.0 - [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 17 · 🔀 90 · 📦 3 · 📋 68 - 33% open · ⏱️ 13.11.2025): ``` git clone https://github.com/deepmodeling/jax-fem ``` - [PyPi](https://pypi.org/project/jax-fem) (📥 750 / month): ``` pip install jax-fem ```
DMFF (🥈14 · ⭐ 180) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 17 · 🔀 47 · 📋 28 - 28% open · ⏱️ 06.08.2025): ``` git clone https://github.com/deepmodeling/DMFF ``` - [Conda](https://anaconda.org/conda-forge/dmff) (📥 2.8K · ⏱️ 22.04.2025): ``` conda install -c conda-forge dmff ```
APEX (🥈14 · ⭐ 41 · 💤) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 23 · 📦 4 · 📋 10 - 10% open · ⏱️ 10.04.2025): ``` git clone https://github.com/deepmodeling/APEX ``` - [PyPi](https://pypi.org/project/apex-flow) (📥 290 / month): ``` pip install apex-flow ```
DP-GUI (🥈14 · ⭐ 8) - A web-based GUI for user inputs. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 13 · ⏱️ 26.08.2025): ``` git clone https://github.com/deepmodeling/dpgui ``` - [PyPi](https://pypi.org/project/dpgui) (📥 19K / month): ``` pip install dpgui ```
rid-kit (🥉12 · ⭐ 51 · 💤) - Reinforced dynamics. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 24 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025): ``` git clone https://github.com/deepmodeling/rid-kit ``` - [PyPi](https://pypi.org/project/rid-kit) (📥 130 / month): ``` pip install rid-kit ```
GPUMD (🥉12 · ⭐ 9) - Graphics Processing Units Molecular Dynamics. GPL-3.0 - [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 55 · ⏱️ 12.12.2025): ``` git clone https://github.com/deepmodeling/GPUMD ```
deepmodeling_sphinx (🥉12 · ⭐ 3) - Sphinx extension for DeepModeling projects. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 8 · 🔀 6 · ⏱️ 12.11.2025): ``` git clone https://github.com/deepmodeling/deepmodeling_sphinx ``` - [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 1.5K / month): ``` pip install deepmodeling_sphinx ```
dpti (🥉10 · ⭐ 30 · 💤) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 17 · 🔀 22 · 📦 2 · 📋 10 - 90% open · ⏱️ 15.03.2025): ``` git clone https://github.com/deepmodeling/dpti ``` - [PyPi](https://pypi.org/project/dpti) (📥 33 / month): ``` pip install dpti ```
fealpy (🥉10 · ⭐ 6 · 💤) - Finite Element Analysis Library in Python. Unlicensed - [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025): ``` git clone https://github.com/deepmodeling/fealpy ``` - [PyPi](https://pypi.org/project/fealpy) (📥 440 / month): ``` pip install fealpy ```
DeePKS-kit (🥉9 · ⭐ 120 · 💤) - 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 · 🔀 36 · 📋 31 - 45% open · ⏱️ 28.04.2025): ``` git clone https://github.com/deepmodeling/deepks-kit ```
community (🥉9 · ⭐ 89 · 📈) - DeepModeling community content. Unlicensed - [GitHub](https://github.com/deepmodeling/community) (👨‍💻 20 · 🔀 23 · ⏱️ 25.12.2025): ``` git clone https://github.com/deepmodeling/community ```
Blog (🥉9 · ⭐ 3) - DeepModeling Blog. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 11 · 🔀 9 · ⏱️ 21.12.2025): ``` git clone https://github.com/deepmodeling/blog ```
fpop (🥉9 · ⭐ 3 · 💤) - LGPL-3.0 - [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 12 · 📦 15 · ⏱️ 01.07.2024): ``` git clone https://github.com/deepmodeling/fpop ``` - [PyPi](https://pypi.org/project/fpop) (📥 330 / month): ``` pip install fpop ```
AIS-Square (🥉8 · ⭐ 15 · 📉) - LGPL-3.0 - [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 23.12.2025): ``` git clone https://github.com/deepmodeling/AIS-Square ```
args (🥉8 · ⭐ 2) - DeepModeling dargs arguments generation. LGPL-3.0 - [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 15.12.2025): ``` git clone https://github.com/deepmodeling/args ``` - [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 49 / month): ``` npm install @deepmodeling/args ```
Uni-Fold (🥉7 · ⭐ 92 · 💤) - Apache-2 - [GitHub](https://github.com/deepmodeling/Uni-Fold) (👨‍💻 3 · 🔀 19 · ⏱️ 18.08.2022): ``` git clone https://github.com/deepmodeling/Uni-Fold ``` - [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 1.2K · ⏱️ 08.01.2024): ``` docker pull dptechnology/unifold ```
tutorials (🥉6 · ⭐ 15 · 💤) - Tutorials for DeepModeling projects. Unlicensed - [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 12 · 🔀 23 · 📋 4 - 25% open · ⏱️ 03.04.2025): ``` git clone https://github.com/deepmodeling/tutorials ```
tbplas (🥉6 · ⭐ 14 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). Unlicensed - [GitHub](https://github.com/deepmodeling/tbplas) (👨‍💻 10 · 🔀 6 · ⏱️ 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 · ⏱️ 28.10.2024): ``` git clone https://github.com/deepmodeling/docs ```
AI4Science101 (🥉5 · ⭐ 99 · 💤) - AI for Science. Unlicensed - [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 15 · ⏱️ 04.09.2022): ``` git clone https://github.com/deepmodeling/AI4Science101 ```
DeePDih (🥉5 · ⭐ 6) - Deep Potential driven molecular dihedral scan toolkit. MIT - [GitHub](https://github.com/deepmodeling/DeePDih) (🔀 3 · 📥 6 · ⏱️ 05.08.2025): ``` git clone https://github.com/deepmodeling/DeePDih ```
ADMP (🥉5 · ⭐ 3 · 💤) - Automatic Differentiation Multipole Moment Molecular Forcefield. Unlicensed - [GitHub](https://github.com/deepmodeling/ADMP) (👨‍💻 7 · 🔀 3 · ⏱️ 15.02.2022): ``` git clone https://github.com/deepmodeling/ADMP ```
DeepH-pack (🥉4 · ⭐ 12 · 💤) - 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 · ⭐ 6 · 💤) - LGPL-2.1 - [GitHub](https://github.com/deepmodeling/tutorials-cn) (👨‍💻 4 · 🔀 8 · ⏱️ 29.12.2022): ``` git clone https://github.com/deepmodeling/tutorials-cn ```
LibRI (🥉2 · ⭐ 6 · 💤) - GPL-3.0 - [GitHub](https://github.com/deepmodeling/LibRI) (👨‍💻 3 · 🔀 1 · 📋 3 - 66% open · ⏱️ 10.01.2025): ``` git clone https://github.com/deepmodeling/LibRI ```
openfinite (🥉1 · ⭐ 1 · 💤) - LGPL-3.0 - [GitHub](https://github.com/deepmodeling/openfinite) (👨‍💻 2 · 🔀 2 · ⏱️ 06.10.2021): ``` git clone https://github.com/deepmodeling/openfinite ```
dflow-op-cutter (🥉-1 · ⭐ 1 · 💤) - Unlicensed - [GitHub](https://github.com/deepmodeling/dflow-op-cutter) (👨‍💻 2 · 🔀 2 · ⏱️ 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/)