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@deepmodeling

DeepModeling

Define the future of scientific computing together

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  1. deepmd-kitdeepmd-kitPublic

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

    Python 1.7k 556

  2. abacus-developabacus-developPublic

    Forked fromabacusmodeling/abacus-develop

    An electronic structure package based on either plane wave basis or numerical atomic orbitals.

    C++ 204 144

  3. Uni-MolUni-MolPublic

    Official Repository for the Uni-Mol Series Methods

    Python 897 142

  4. GPUMDGPUMDPublic

    Forked frombrucefan1983/GPUMD

    Graphics Processing Units Molecular Dynamics

    Cuda 8

  5. DeePTBDeePTBPublic

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

    Python 82 21

  6. APEXAPEXPublic

    APEX: Alloy Properties EXplorer using simulations

    Python 34 24

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