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  1. sigma4pyscf sigma4pyscf Public

    Implementation of σ-functionals for the use with PySCF

    Python 2 1

  2. Kaggle-Competitions Kaggle-Competitions Public

    My codes for Kaggle competitions I participated in

    Python

  3. quantum_chemistry_datasets quantum_chemistry_datasets Public

    Forked from obackhouse/gmtkn

    Test datasets in python format

    Python