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Popular repositories

  1. div_rank div_rank Public

    This the code for the diversity picking algorithm describes in Schuffenhauer, A. et al. Evolution of Novartis' small molecule screening deck design, J. Med. Chem. (2020), DOI. https://dx.doi.org/10…

    Python

  2. ChemFold ChemFold Public

    Forked from melloddy/ChemFold

    ChemFold provides several methods for computing train-validation-test splits, both in federated and non-federated (ordinary) ML settings.

    Python

  3. MELLODDY-TUNER MELLODDY-TUNER Public

    Forked from melloddy/MELLODDY-TUNER

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  4. MELLODDY-Predictor MELLODDY-Predictor Public

    Forked from melloddy/MELLODDY-Predictor

    Python