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

Thomas Le Menestrel Manuel A. Rivas

Published in: CoRR (2024)

Keyphrases

multi task
multi task learning
learning tasks
multiple tasks
metric learning
multitask learning
sparse learning
multi class
feature selection
maximum likelihood
gaussian processes
transfer learning
learning problems
prior knowledge
learning experience