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caic99 (Chun Cai) · GitHub

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  1. dptech-corp/Uni-Dock dptech-corp/Uni-Dock Public

    Uni-Dock: a GPU-accelerated molecular docking program

    C++ 307 63

  2. deepmodeling/deepmd-kit deepmodeling/deepmd-kit Public

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

    Python 2k 646

  3. deepmodeling/abacus-develop deepmodeling/abacus-develop Public

    Forked from abacusmodeling/abacus-develop

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

    C++ 286 243

  4. deepmodeling/deepflame-dev deepmodeling/deepflame-dev Public

    Forked from deepflameCFD/deepflame-dev

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

    C++ 219 78

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