2 papers
q-bio.BM2024
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…
cs.LG2024
Using Pre-training and Interaction Modeling for ancestry-specific disease prediction in UK Biobank
Thomas Le Menestrel, Erin Craig, Robert Tibshirani +2
Recent genome-wide association studies (GWAS) have uncovered the genetic basis of complex traits, but show an under-representation of non-European descent individuals, underscoring…