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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

Repositories

Showing 4 of 4 repositories
  • mopac-ml Public Forked from Honza-R/mopac-ml

    MOPAC wrapper providing the PM6-ML correction

    QuanMol/mopac-ml’s past year of commit activity
    Python 0 7 0 0 Updated Feb 18, 2025
  • mopac Public Forked from Honza-R/mopac

    Molecular Orbital PACkage

    QuanMol/mopac’s past year of commit activity
    Fortran 0 LGPL-3.0 43 0 0 Updated Nov 18, 2024
  • CASCADE Public Forked from patonlab/CASCADE

    CAlculation of NMR Chemical Shifts using Deep LEarning

    QuanMol/CASCADE’s past year of commit activity
    JavaScript 0 MIT 17 0 0 Updated Mar 27, 2023
  • pkasolver-fork Public Forked from mayrf/pkasolver

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

    QuanMol/pkasolver-fork’s past year of commit activity
    Jupyter Notebook 0 MIT 26 0 0 Updated Jan 8, 2023

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