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  1. Protein-Ligand-Interaction-Graphs Protein-Ligand-Interaction-Graphs Public

    Jupyter Notebook 39 9

  2. SuCOS SuCOS Public

    Forked from susanhleung/SuCOS

    easily accessible script to calculate SuCOS scores for pairs of molecules.

    Python 6 1

  3. SARS-CoV-2-Modelling SARS-CoV-2-Modelling Public

    Forked from gmm/SARS-CoV-2-Modelling

    Repo for SARS-CoV-2 Mpro modelling results; see https://bitly.com/peptibitors for the bioRxiv preprint.

    Jupyter Notebook 1

  4. Bayesian-Optimization-For-Drug-Discovery Bayesian-Optimization-For-Drug-Discovery Public

    Python 1