Skip to content
@deepmodeling

DeepModeling

Define the future of scientific computing together
README.md

Pinned Loading

  1. deepmd-kit deepmd-kit Public

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

    Python 2.1k 659

  2. abacus-develop abacus-develop Public

    Forked from abacusmodeling/abacus-develop

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

    C++ 296 255

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 1.2k 183

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 13

  5. DeePTB DeePTB Public

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

    Python 124 36

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 48 36

Repositories

Showing 10 of 67 repositories
  • .github Public
    deepmodeling/.github's past year of commit activity
    0 4 0 1 Updated Oct 14, 2026
  • abacus-develop Public Forked from abacusmodeling/abacus-develop

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

    deepmodeling/abacus-develop's past year of commit activity
    C++ 296 LGPL-3.0 312 188 15 Updated Oct 14, 2026
  • community Public

    DeepModeling community content

    deepmodeling/community's past year of commit activity
    98 24 0 4 Updated Oct 14, 2026
  • blog Public

    DeepModeling Blog

    deepmodeling/blog's past year of commit activity
    TeX 3 LGPL-3.0 8 0 8 Updated Oct 14, 2026
  • deepmd-kit Public

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

    deepmodeling/deepmd-kit's past year of commit activity
    Python 2,058 LGPL-3.0 659 167 (1 issue needs help) 79 Updated Oct 14, 2026
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator's past year of commit activity
    Python 103 LGPL-3.0 46 8 (1 issue needs help) 9 Updated Oct 14, 2026
  • deepmd-gnn Public

    DeePMD-kit plugin for various graph neural network models

    deepmodeling/deepmd-gnn's past year of commit activity
    Python 56 LGPL-3.0 10 6 8 Updated Oct 13, 2026
  • dpti Public

    A Python Package to Automate Thermodynamic Integration Calculations for Free Energy

    deepmodeling/dpti's past year of commit activity
    Python 44 LGPL-3.0 27 37 26 Updated Oct 12, 2026
  • deepmodeling_sphinx Public

    Sphinx extension for DeepModeling projects

    deepmodeling/deepmodeling_sphinx's past year of commit activity
    CSS 2 LGPL-3.0 6 12 3 Updated Oct 12, 2026
  • dpgui Public

    A web-based GUI for user inputs

    deepmodeling/dpgui's past year of commit activity
    Vue 9 LGPL-3.0 5 12 10 Updated Oct 12, 2026
View all repositories