kari15/GENOVA-pytorch
GENOVA is an AI-driven de novo drug design framework based on WGAN-GP and genetic algorithm optimization to generate pharmacologically optimized small molecules. Demonstrated on BACE1 inhibitors for Alzheimer’s disease, the framework helps identifying candidates with improved potency, bioavailability, BBB permeability and other important properties
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Python
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MIT
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Last pushed
Mar 27, 2026
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