Skip to content
@deepmodeling

DeepModeling

Define the future of scientific computing together
README.md

Pinned Loading

  1. deepmd-kit Public

    A deep learning package for many-body potential energy representation and molecular dynamics

    Python 1.6k 542

  2. abacus-develop Public

    Forked from abacusmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++ 192 140

  3. Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 842 139

  4. GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 7

  5. DeePTB Public

    DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.

    Python 75 18

  6. APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 33 23

Repositories

Showing 10 of 58 repositories
  • .github Public
    0 3 0 1 Updated May 2, 2025
  • abacus-develop Public Forked from abacusmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++ 192 LGPL-3.0 175 107 5 Updated May 2, 2025
  • deepmodeling-projects Public

    DeepModeling projects

    6 CC-BY-SA-4.0 2 0 2 Updated May 1, 2025
  • dpgui Public

    A web-based GUI for user inputs

    Vue 8 LGPL-3.0 5 0 7 Updated Apr 30, 2025
  • dflow Public Forked from dptech-corp/dflow

    Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows as the workflow engine.

    Python 70 LGPL-3.0 46 14 1 Updated Apr 30, 2025
  • deepmd-kit Public

    A deep learning package for many-body potential energy representation and molecular dynamics

    Python 1,632 LGPL-3.0 542 84 (2 issues need help) 11 Updated Apr 29, 2025
  • deepmd-gnn Public

    DeePMD-kit plugin for various graph neural network models

    Python 43 LGPL-3.0 7 4 1 Updated Apr 29, 2025
  • deepflame-dev Public Forked from deepflameCFD/deepflame-dev

    A deep learning empowered open-source platform for reacting flow simulations

    C++ 166 GPL-3.0 78 20 1 Updated Apr 29, 2025
  • Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 842 MIT 139 96 0 Updated Apr 29, 2025
  • dpdata Public

    A Python package for manipulating atomistic data of software in computational science

    Python 209 LGPL-3.0 139 21 (3 issues need help) 15 Updated Apr 29, 2025
View all repositories