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ECFP-substructure-pooling-Sort-and-Slice
ECFP-substructure-pooling-Sort-and-Slice PublicSort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints
Jupyter Notebook 1
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QSAR-activity-cliff-experiments
QSAR-activity-cliff-experiments PublicExploring QSAR Models for Activity-Cliff Prediction
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deep_kolmogorov
deep_kolmogorov PublicForked from juliusberner/deep_kolmogorov
Numerically Solving Parametric Families of High-Dimensional Kolmogorov Partial Differential Equations via Deep Learning
Python
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