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  1. ECFP-substructure-pooling-Sort-and-Slice ECFP-substructure-pooling-Sort-and-Slice Public

    Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints

    Jupyter Notebook

  2. QSAR-activity-cliff-experiments QSAR-activity-cliff-experiments Public

    Exploring QSAR Models for Activity-Cliff Prediction

    Jupyter Notebook 13 4

  3. deep_kolmogorov deep_kolmogorov Public

    Forked from juliusberner/deep_kolmogorov

    Numerically Solving Parametric Families of High-Dimensional Kolmogorov Partial Differential Equations via Deep Learning

    Python