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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 1.8k 581

  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++ 233 146

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 1k 158

  4. GPUMD GPUMD Public

    Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 9

  5. DeePTB DeePTB Public

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

    Python 93 25

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 41 28

Repositories

Showing 10 of 64 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 4 0 1 Updated Dec 19, 2025
  • 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 1,814 LGPL-3.0 581 87 (2 issues need help) 35 Updated Dec 19, 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++ 233 LGPL-3.0 188 185 5 Updated Dec 19, 2025
  • deepmodeling-projects Public

    DeepModeling projects

    deepmodeling/deepmodeling-projects’s past year of commit activity
    8 CC-BY-SA-4.0 2 0 16 Updated Dec 19, 2025
  • community Public

    DeepModeling community content

    deepmodeling/community’s past year of commit activity
    89 23 0 6 Updated Dec 19, 2025
  • DeePTB Public

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

    deepmodeling/DeePTB’s past year of commit activity
    Python 93 LGPL-3.0 25 18 5 Updated Dec 19, 2025
  • dftio Public

    dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning models.

    deepmodeling/dftio’s past year of commit activity
    Jupyter Notebook 13 MIT 8 4 0 Updated Dec 18, 2025
  • sciencepedia Public
    deepmodeling/sciencepedia’s past year of commit activity
    90 17 8 0 Updated Dec 18, 2025
  • dargs Public

    Argument processing for the deep modeling project.

    deepmodeling/dargs’s past year of commit activity
    Python 6 LGPL-3.0 3 2 1 Updated Dec 17, 2025
  • 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 53 LGPL-3.0 59 18 (2 issues need help) 3 Updated Dec 17, 2025
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