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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 1.6k 537

  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++ 190 141

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 823 136

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 5

  5. DeePTB DeePTB Public

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

    Python 69 17

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 29 23

Repositories

Showing 10 of 57 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 1,612 LGPL-3.0 537 82 (2 issues need help) 12 Updated Apr 1, 2025
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 3 0 1 Updated Apr 1, 2025
  • 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++ 190 LGPL-3.0 175 101 6 Updated Apr 1, 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.

    deepmodeling/dflow’s past year of commit activity
    Python 69 LGPL-3.0 45 14 1 Updated Apr 1, 2025
  • AIS-Square Public
    deepmodeling/AIS-Square’s past year of commit activity
    13 LGPL-3.0 8 5 1 Updated Apr 1, 2025
  • blog Public

    DeepModeling Blog

    deepmodeling/blog’s past year of commit activity
    TeX 1 LGPL-3.0 8 0 4 Updated Mar 31, 2025
  • rid-kit Public

    Reinforced dynamics

    deepmodeling/rid-kit’s past year of commit activity
    Python 47 LGPL-3.0 24 2 3 Updated Mar 31, 2025
  • deepmd-gnn Public

    DeePMD-kit plugin for various graph neural network models

    deepmodeling/deepmd-gnn’s past year of commit activity
    Python 37 LGPL-3.0 6 3 2 Updated Mar 28, 2025
  • Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    deepmodeling/Uni-Mol’s past year of commit activity
    Python 823 MIT 136 90 0 Updated Mar 28, 2025
  • deepmodeling-projects Public

    DeepModeling projects

    deepmodeling/deepmodeling-projects’s past year of commit activity
    5 CC-BY-SA-4.0 2 0 1 Updated Mar 28, 2025
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