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  1. basis_set_exchange basis_set_exchange Public

    Forked from MolSSI-BSE/basis_set_exchange

    A repository for quantum chemistry basis sets

    Python

  2. GW GW Public

    Python

  3. nwchem nwchem Public

    Forked from nwchemgit/nwchem

    NWChem: Open Source High-Performance Computational Chemistry

    Fortran

  4. nwchem-dockerfiles nwchem-dockerfiles Public

    Forked from nwchemgit/nwchem-dockerfiles

    files to create Docker containers

    Dockerfile

  5. spec-org/water spec-org/water Public

    Deciphering the Mysteries of Hydrogen Bonding in Water

    Jupyter Notebook