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  1. CM_DVR CM_DVR Public

    Python 1

  2. zadorlab/pynta zadorlab/pynta Public

    Pynta - an automated workflow for reaction path exploration on metallic surfaces

    Python 42 16

  3. ebylaska/PWDFT ebylaska/PWDFT Public

    Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software

    Fortran 13 8

  4. atct atct Public

    comprehensive Python client for the ATcT v1 API with advanced reaction enthalpy calculation capabilities.

    Python 1