deepmodeling-projects

🏆  A ranked list of awesome projects. Updated weekly.

This curated list contains 38 awesome open-source projects with a total of 4.8K 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, submit a pull request, or directly edit the projects.yaml. Contributions are very welcome!

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Contents

• 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 (🥇30 · ⭐ 1.9K) - A deep learning package for many-body potential energy representation and molecular dynamics. LGPL-3.0

• GitHub (👨‍💻 84 · 🔀 570 · 📥 68K · 📦 46 · 📋 980 - 10% open · ⏱️ 26.02.2026):

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

• PyPi (📥 11K / month):

   pip install deepmd-kit
  

• Conda (📥 2.6M · ⏱️ 22.12.2025):

   conda install -c conda-forge deepmd-kit
  

• npm (📥 19 / month):

   npm install deepmd-kit
  

• Docker Hub (📥 5K · ⭐ 1 · ⏱️ 27.12.2025):

   docker pull deepmodeling/deepmd-kit
  

dpdata (🥇26 · ⭐ 240 · 📈) - A Python package for manipulating atomistic data of software in computational science. LGPL-3.0

• GitHub (👨‍💻 68 · 🔀 150 · 📦 160 · 📋 130 - 21% open · ⏱️ 26.02.2026):

   git clone http://github.com/deepmodeling/dpdata
  

• PyPi (📥 60K / month):

   pip install dpdata
  

• Conda (📥 120K · ⏱️ 21.10.2025):

   conda install -c conda-forge dpdata
  

• Docker Hub (📥 710 · ⏱️ 02.06.2023):

   docker pull dptechnology/dpdata
  

ABACUS (🥇25 · ⭐ 250) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. LGPL-3.0

• GitHub (👨‍💻 140 · 🔀 150 · 📋 2.5K - 7% open · ⏱️ 26.02.2026):

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

• Conda (📥 600K · ⏱️ 20.12.2025):

   conda install -c conda-forge abacus
  

DP-GEN (🥇23 · ⭐ 380) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. LGPL-3.0

• GitHub (👨‍💻 73 · 🔀 180 · 📥 2.1K · 📦 8 · 📋 340 - 11% open · ⏱️ 25.02.2026):

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

• PyPi (📥 470 / month):

   pip install dpgen
  

• Conda (📥 49K · ⏱️ 07.08.2025):

   conda install -c conda-forge dpgen
  

dpdispatcher (🥇23 · ⭐ 56 · 📈) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. LGPL-3.0

• GitHub (👨‍💻 48 · 🔀 57 · 📦 69 · 📋 99 - 19% open · ⏱️ 25.02.2026):

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

• PyPi (📥 3.3K / month):

   pip install dpdispatcher
  

• Conda (📥 40K · ⏱️ 25.02.2026):

   conda install -c conda-forge dpdispatcher
  

• Docker Hub (📥 140K · ⏱️ 25.02.2026):

   docker pull dptechnology/dpdispatcher
  

reacnetgenerator (🥈19 · ⭐ 95) - an automatic reaction network generator for reactive molecular dynamics simulation. LGPL-3.0

• GitHub (👨‍💻 19 · 🔀 43 · 📦 3 · 📋 130 - 6% open · ⏱️ 24.02.2026):

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

• PyPi (📥 3.8K / month):

   pip install reacnetgenerator
  

• Conda (📥 740K · ⏱️ 11.11.2025):

   conda install -c conda-forge reacnetgenerator
  

dargs (🥈19 · ⭐ 6 · 📈) - Argument processing for the deep modeling project. LGPL-3.0

• GitHub (👨‍💻 8 · 🔀 4 · 📦 160 · 📋 14 - 21% open · ⏱️ 24.02.2026):

   git clone http://github.com/deepmodeling/dargs
  

• PyPi (📥 75K / month):

   pip install dargs
  

• Conda (📥 60K · ⏱️ 25.02.2026):

   conda install -c conda-forge dargs
  

dflow (🥈18 · ⭐ 79) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. LGPL-3.0

• GitHub (👨‍💻 23 · 🔀 30 · 📋 36 - 36% open · ⏱️ 21.01.2026):

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

• PyPi:

   pip install dflow
  

• Conda:

   conda install -c conda-forge dflow
  

• Docker Hub (📥 18K · ⏱️ 21.01.2026):

   docker pull dptechnology/dflow
  

DeepFlame (🥈17 · ⭐ 200) - A deep learning empowered open-source platform for reacting flow simulations. GPL-3.0

• GitHub (👨‍💻 30 · 🔀 74 · 📋 63 - 41% open · ⏱️ 14.02.2026):

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

DeePTB (🥈16 · ⭐ 100) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. LGPL-3.0

• GitHub (👨‍💻 15 · 🔀 26 · 📦 4 · 📋 58 - 31% open · ⏱️ 09.02.2026):

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

• PyPi (📥 370 / month):

   pip install dptb
  

DPGEN2 (🥈16 · ⭐ 40) - 2nd generation of the Deep Potential GENerator. LGPL-3.0

• GitHub (👨‍💻 19 · 🔀 35 · 📦 6 · 📋 46 - 39% open · ⏱️ 20.02.2026):

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

• PyPi (📥 71 / month):

   pip install dpgen2
  

• Docker Hub (📥 4.3K · ⏱️ 20.02.2026):

   docker pull dptechnology/dpgen2
  

DP-GUI (🥈15 · ⭐ 8 · 📈) - A web-based GUI for user inputs. LGPL-3.0

• GitHub (👨‍💻 4 · 🔀 5 · 📦 13 · ⏱️ 26.08.2025):

   git clone http://github.com/deepmodeling/dpgui
  

• PyPi (📥 61K / month):

   pip install dpgui
  

JAX-FEM (🥈14 · ⭐ 590) - Differentiable Finite Element Method with JAX. GPL-3.0

• GitHub (👨‍💻 17 · 🔀 94 · 📦 3 · 📋 70 - 34% open · ⏱️ 08.02.2026):

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

• PyPi (📥 660 / month):

   pip install jax-fem
  

DMFF (🥈14 · ⭐ 190) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. LGPL-3.0

• GitHub (👨‍💻 17 · 🔀 47 · 📋 28 - 28% open · ⏱️ 06.08.2025):

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

• Conda (📥 3K · ⏱️ 22.04.2025):

   conda install -c conda-forge dmff
  

APEX (🥈14 · ⭐ 42 · 💤) - APEX: Alloy Properties EXplorer using simulations. LGPL-3.0

• GitHub (👨‍💻 7 · 🔀 25 · 📦 4 · 📋 10 - 10% open · ⏱️ 10.04.2025):

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

• PyPi (📥 640 / month):

   pip install apex-flow
  

rid-kit (🥉12 · ⭐ 52 · 💤) - Reinforced dynamics. LGPL-3.0

• GitHub (👨‍💻 14 · 🔀 25 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025):

   git clone http://github.com/deepmodeling/rid-kit
  

• PyPi (📥 93 / month):

   pip install rid-kit
  

GPUMD (🥉12 · ⭐ 11) - Graphics Processing Units Molecular Dynamics. GPL-3.0

• GitHub (👨‍💻 56 · ⏱️ 15.02.2026):

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

deepmodeling_sphinx (🥉12 · ⭐ 3) - Sphinx extension for DeepModeling projects. LGPL-3.0

• GitHub (👨‍💻 8 · 🔀 6 · ⏱️ 12.11.2025):

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

• PyPi (📥 2.6K / month):

   pip install deepmodeling_sphinx
  

fealpy (🥉11 · ⭐ 6 · 💤) - Finite Element Analysis Library in Python. Unlicensed

• GitHub (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025):

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

• PyPi (📥 1.3K / month):

   pip install fealpy
  

dpti (🥉10 · ⭐ 31 · 💤) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. LGPL-3.0

• GitHub (👨‍💻 17 · 🔀 22 · 📦 2 · 📋 10 - 90% open · ⏱️ 15.03.2025):

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

• PyPi (📥 30 / month):

   pip install dpti
  

DeePKS-kit (🥉9 · ⭐ 120 · 💤) - a package for developing machine learning-based chemically accurate energy and density functional models. LGPL-3.0

• GitHub (👨‍💻 7 · 🔀 36 · 📋 31 - 45% open · ⏱️ 28.04.2025):

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

AIS-Square (🥉9 · ⭐ 15) - LGPL-3.0

• GitHub (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 30.01.2026):

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

Blog (🥉9 · ⭐ 3) - DeepModeling Blog. LGPL-3.0

• GitHub (👨‍💻 11 · 🔀 9 · ⏱️ 04.02.2026):

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

fpop (🥉9 · ⭐ 3 · 💤) - LGPL-3.0

• GitHub (👨‍💻 4 · 🔀 12 · 📦 15 · ⏱️ 01.07.2024):

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

• PyPi (📥 220 / month):

   pip install fpop
  

community (🥉8 · ⭐ 91) - DeepModeling community content. Unlicensed

• GitHub (👨‍💻 20 · 🔀 24 · ⏱️ 25.12.2025):

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

args (🥉8 · ⭐ 2) - DeepModeling dargs arguments generation. LGPL-3.0

• GitHub (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 15.12.2025):

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

• npm (📥 110 / month):

   npm install @deepmodeling/args
  

Uni-Fold (🥉7 · ⭐ 93 · 💤) - Apache-2

• GitHub (👨‍💻 3 · 🔀 19 · ⏱️ 18.08.2022):

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

• Docker Hub (📥 1.2K · ⏱️ 08.01.2024):

   docker pull dptechnology/unifold
  

tutorials (🥉6 · ⭐ 16 · 💤) - Tutorials for DeepModeling projects. Unlicensed

• GitHub (👨‍💻 12 · 🔀 23 · 📋 4 - 25% open · ⏱️ 03.04.2025):

   git clone http://github.com/deepmodeling/tutorials
  

tbplas (🥉6 · ⭐ 14 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). Unlicensed

• GitHub (👨‍💻 10 · 🔀 6 · ⏱️ 17.01.2024):

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

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

• GitHub (👨‍💻 8 · 🔀 7 · ⏱️ 28.10.2024):

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

AI4Science101 (🥉5 · ⭐ 100 · 💤) - AI for Science. Unlicensed

• GitHub (👨‍💻 5 · 🔀 16 · ⏱️ 04.09.2022):

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

DeePDih (🥉5 · ⭐ 6) - Deep Potential driven molecular dihedral scan toolkit. MIT

• GitHub (🔀 3 · 📥 7 · ⏱️ 05.08.2025):

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

ADMP (🥉5 · ⭐ 3 · 💤) - Automatic Differentiation Multipole Moment Molecular Forcefield. Unlicensed

• GitHub (👨‍💻 7 · 🔀 3 · ⏱️ 15.02.2022):

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

DeepH-pack (🥉4 · ⭐ 14 · 💤) - Deep neural networks for density functional theory Hamiltonian. LGPL-3.0

• GitHub (👨‍💻 6 · 🔀 6 · 📋 6 - 66% open · ⏱️ 28.12.2023):

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

tutorials-cn (🥉4 · ⭐ 6 · 💤) - LGPL-2.1

• GitHub (👨‍💻 4 · 🔀 8 · ⏱️ 29.12.2022):

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

LibRI (🥉2 · ⭐ 6 · 💤) - GPL-3.0

• GitHub (👨‍💻 3 · 🔀 1 · 📋 3 - 66% open · ⏱️ 10.01.2025):

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

openfinite (🥉1 · ⭐ 1 · 💤) - LGPL-3.0

• GitHub (👨‍💻 2 · 🔀 2 · ⏱️ 06.10.2021):

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

dflow-op-cutter (🥉-1 · ⭐ 1 · 💤) - Unlicensed

• GitHub (👨‍💻 2 · 🔀 2 · ⏱️ 06.07.2022):

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

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