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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 574

  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++ 214 145

  3. Uni-Mol Uni-Mol Public

    Official Repository for the Uni-Mol Series Methods

    Python 947 151

  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 88 23

  6. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 37 24

Repositories

Showing 10 of 63 repositories
  • .github Public
    deepmodeling/.github’s past year of commit activity
    0 4 0 1 Updated Oct 3, 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
    Python 12 MIT 7 3 0 Updated Oct 3, 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++ 214 LGPL-3.0 186 154 8 Updated Oct 3, 2025
  • GPUMD Public Forked from brucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    deepmodeling/GPUMD’s past year of commit activity
    Cuda 9 GPL-3.0 158 0 0 Updated Oct 3, 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 1,761 LGPL-3.0 574 79 (2 issues need help) 29 Updated Oct 3, 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 52 LGPL-3.0 59 18 (2 issues need help) 2 Updated Oct 3, 2025
  • reacnetgenerator Public

    an automatic reaction network generator for reactive molecular dynamics simulation

    deepmodeling/reacnetgenerator’s past year of commit activity
    Python 94 LGPL-3.0 42 7 (1 issue needs help) 10 Updated Oct 2, 2025
  • deepmodeling-projects Public

    DeepModeling projects

    deepmodeling/deepmodeling-projects’s past year of commit activity
    7 CC-BY-SA-4.0 2 0 11 Updated Oct 3, 2025
  • deepmd-gnn Public

    DeePMD-kit plugin for various graph neural network models

    deepmodeling/deepmd-gnn’s past year of commit activity
    Python 49 LGPL-3.0 7 4 1 Updated Oct 2, 2025
  • jax-fem Public

    Differentiable Finite Element Method with JAX

    deepmodeling/jax-fem’s past year of commit activity
    Python 495 GPL-3.0 85 31 3 Updated Oct 2, 2025
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