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ai-driven-drug

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S-Khilar / Graph-Neural-Networks-GNNs-for-Protein-Ligand-Interaction-Inrerpretation

AI-driven bioinformatics project using Graph Neural Networks to model protein–ligand interactions for drug discovery applications.

machine-learning bioinformatics deep-learning computational-biology drug-discovery graph-neural-networks pytouch ai-driven-drug

Updated Mar 23, 2026
Python

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