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 662

  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++ 297 258

  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 49 36

Repositories

Showing 10 of 67 repositories
  • 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 2,072 LGPL-3.0 662 171 (1 issue needs help) 78 Updated Oct 28, 2026
  • .github Public
    deepmodeling/.github's past year of commit activity
    0 4 0 1 Updated Oct 28, 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++ 297 LGPL-3.0 317 190 32 Updated Oct 28, 2026
  • 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.

    deepmodeling/dflow's past year of commit activity
    Python 84 LGPL-3.0 48 13 1 Updated Oct 27, 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 26, 2026
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator's past year of commit activity
    Python 105 LGPL-3.0 46 8 (1 issue needs help) 9 Updated Oct 27, 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 26, 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 26, 2026
  • dpdata Public

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

    deepmodeling/dpdata's past year of commit activity
    Python 255 LGPL-3.0 159 11 14 Updated Oct 26, 2026
  • dpdispatcher Public

    generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish

    deepmodeling/dpdispatcher's past year of commit activity
    Python 62 LGPL-3.0 62 1 5 Updated Oct 26, 2026
View all repositories