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@molinfo-vienna
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Pinned

  1. RingSystems RingSystems Public

    Codes used in a cheminformatics anaysis for ring systems in natural products

    Jupyter Notebook 5 2

  2. molinfo-vienna/FAME.AL molinfo-vienna/FAME.AL Public

    Active learning for sites of metabolism prediction

    Jupyter Notebook 2 2

  3. EBjerrum/scikit-mol EBjerrum/scikit-mol Public

    scikit-learn classes for molecular vectorization using RDKit

    Jupyter Notebook 96 16

  4. CSMs_target_prediction CSMs_target_prediction Public

    1