2 citations · 6 across the 5 of their papers we have counts for
3 papers · 1 filter
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…
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…
Pretraining and the Lasso
Erin Craig, Mert Pilanci, Thomas Le Menestrel +7
Pretraining is a popular and powerful paradigm in machine learning to pass information from one model to another. As an example, suppose one has a modest-sized dataset of images of…