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Define the future of scientific computing together


  1. deepmd-kit deepmd-kit Public

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

    C++ 1.4k 484

  2. dflow 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.

    Python 54 23

  3. 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++ 145 117

  4. APEX APEX Public

    APEX: Alloy Properties EXplorer using simulations

    Python 19 18

  5. DeePTB DeePTB Public

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

    Python 31 12

  6. tbplas tbplas Public

    Repository of TBPLaS (tight-binding package for large-scale simulation)

    5 3


Showing 10 of 50 repositories