RAG-GNN augments GNNs with retrieved literature knowledge via gated fusion to improve functional clustering of 379 proteins in cancer signaling networks, raising silhouette score by 0.093.
Network medicine framework for identifying drug-repurposing opportunities for covid-19.Proceedings of the National Academy of Sciences, 118 (19):e2025581118
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Boltz-2 and fine-tuned DrugFormDTA lead ML-based binding prediction while GNINA leads docking tools on a cleaned antiviral dataset, with performance varying by viral protein.
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RAG-GNN: Integrating Retrieved Knowledge with Graph Neural Networks for Precision Medicine
RAG-GNN augments GNNs with retrieved literature knowledge via gated fusion to improve functional clustering of 379 proteins in cancer signaling networks, raising silhouette score by 0.093.
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Benchmarking open-source tools for in silico antiviral drug discovery
Boltz-2 and fine-tuned DrugFormDTA lead ML-based binding prediction while GNINA leads docking tools on a cleaned antiviral dataset, with performance varying by viral protein.