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  1. grimme-lab/CENSO grimme-lab/CENSO Public

    CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles

    Python 31 14

  2. grimme-lab/MindlessGen grimme-lab/MindlessGen Public

    Mindless molecule generator in a Python package.

    Python 39 5

  3. grimme-lab/multicharge grimme-lab/multicharge Public

    Electronegativity equilibration model for atomic partial charges

    Fortran 21 18