most citedUsing Pre-training and Interaction Modeling for ancestry-specific disease prediction in UK Biobank

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q-bio.BM2024★ 2 cited

Smiles2Dock: an open large-scale multi-task dataset for ML-based molecular docking

Thomas Le Menestrel, Manuel Rivas

Docking is a crucial component in drug discovery aimed at predicting the binding conformation and affinity between small molecules and target proteins. ML-based docking has recentl…