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  1. geomtosmarts geomtosmarts Public

    Python package to convert transition state output files into reaction SMILES/SMARTS.

    Python

  2. samgeoesp.github.io samgeoesp.github.io Public

    Testing GitHub Pages

  3. the-grayson-group/distortion-interaction_ML the-grayson-group/distortion-interaction_ML Public

    Repository for the paper titled "Distortion/Interaction Analysis via Machine Learning"

    Python 3