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@keithgroup

Keith Lab in Computational Chemistry

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  1. mbGDML mbGDML Public

    Create, use, and analyze machine learning potentials within the many-body expansion framework.

    Python 10 1

  2. bebop-qc bebop-qc Public

    Python 2

Repositories

Showing 10 of 13 repositories
  • bebop-qc Public
    keithgroup/bebop-qc’s past year of commit activity
    Python 2 MIT 0 0 0 Updated May 9, 2024
  • zpebop-qc Public
    keithgroup/zpebop-qc’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Apr 1, 2024
  • mbGDML Public

    Create, use, and analyze machine learning potentials within the many-body expansion framework.

    keithgroup/mbGDML’s past year of commit activity
    Python 10 MIT 1 0 0 Updated Jul 13, 2023
  • mbgdml-h2o-meoh-mecn Public
    keithgroup/mbgdml-h2o-meoh-mecn’s past year of commit activity
    Python 0 0 0 0 Updated May 19, 2023
  • qcjson Public archive

    JSONs for computational chemistry

    keithgroup/qcjson’s past year of commit activity
    Python 4 MIT 1 0 0 Updated Oct 19, 2022
  • mbgdml-h2o-meoh-mecn-engrads Public
    keithgroup/mbgdml-h2o-meoh-mecn-engrads’s past year of commit activity
    0 0 0 0 Updated Apr 18, 2022
  • solute-solvent-clusters Public

    This work provides a database of solute, solvent, and solute-solvent clusters and energies.

    keithgroup/solute-solvent-clusters’s past year of commit activity
    0 0 0 0 Updated Feb 14, 2022
  • qa-atoms-dimers Public
    keithgroup/qa-atoms-dimers’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Jan 21, 2022
  • qa-atoms-data Public
    keithgroup/qa-atoms-data’s past year of commit activity
    Shell 0 0 0 0 Updated Jan 19, 2022
  • qa-dimers-data Public
    keithgroup/qa-dimers-data’s past year of commit activity
    Shell 0 0 0 0 Updated Nov 29, 2021
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