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  1. ppqm ppqm Public

    Forked from ppqm/ppqm

    Enable cheminformatics and quantum chemistry

    Python

  2. xyz2mol xyz2mol Public

    Forked from jensengroup/xyz2mol

    Converts and xyz file to an RDKit mol object

    Python 2

  3. rust_rmsd rust_rmsd Public

    Rust 2