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@QuanMol

QuanMol

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  1. pkasolver-fork pkasolver-fork Public

    Forked from mayrf/pkasolver

    toolkit for prediction pKa values of small molecules via graph convolutional networks

    Jupyter Notebook

  2. CASCADE CASCADE Public

    Forked from patonlab/CASCADE

    CAlculation of NMR Chemical Shifts using Deep LEarning

    JavaScript

  3. mopac-ml mopac-ml Public

    Forked from Honza-R/mopac-ml

    MOPAC wrapper providing the PM6-ML correction

    Python

  4. mopac mopac Public

    Forked from Honza-R/mopac

    Molecular Orbital PACkage

    Fortran

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