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@deepmodeling

DeepModeling

Define the future of scientific computing together
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  1. deepmd-kit deepmd-kit Public

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

    Python 1.9k 598

  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++ 248 152

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 1.1k 166

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 11

  5. DeePTB DeePTB Public

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

    Python 102 29

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 42 32

Repositories

Showing 10 of 67 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 4 0 1 Updated Mar 7, 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 1,887 LGPL-3.0 598 98 (2 issues need help) 33 Updated Mar 7, 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++ 248 LGPL-3.0 194 193 1 Updated Mar 7, 2026
  • Uni-Lab-OS Public

    A Platform for Laboratory Automation.

    deepmodeling/Uni-Lab-OS’s past year of commit activity
    Python 128 GPL-3.0 43 5 14 Updated Mar 6, 2026
  • deepflame-dev Public Forked from deepflameCFD/deepflame-dev

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

    deepmodeling/deepflame-dev’s past year of commit activity
    C++ 205 GPL-3.0 87 26 0 Updated Mar 6, 2026
  • deepmodeling-projects Public

    DeepModeling projects

    deepmodeling/deepmodeling-projects’s past year of commit activity
    8 CC-BY-SA-4.0 2 0 22 Updated Mar 5, 2026
  • AIS-Square Public
    deepmodeling/AIS-Square’s past year of commit activity
    15 LGPL-3.0 8 5 2 Updated Mar 5, 2026
  • unimol_tools Public

    unimol_tools: a easy-use & auto-ml molecule property prediction tool

    deepmodeling/unimol_tools’s past year of commit activity
    Python 26 MIT 6 3 1 Updated Mar 4, 2026
  • LAMBench Public

    A benchmark for Large Atomistic Models

    deepmodeling/LAMBench’s past year of commit activity
    Python 15 MIT 8 1 1 Updated Mar 4, 2026
  • deepmd-gnn Public

    DeePMD-kit plugin for various graph neural network models

    deepmodeling/deepmd-gnn’s past year of commit activity
    Python 53 LGPL-3.0 8 6 6 Updated Mar 3, 2026
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