most citedFlexVDW: A machine learning approach to account for protein flexibility in ligand docking

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cs.LG2023

Implicit Geometry and Interaction Embeddings Improve Few-Shot Molecular Property Prediction

Christopher Fifty, Joseph M. Paggi, Ehsan Amid +2

Few-shot learning is a promising approach to molecular property prediction as supervised data is often very limited. However, many important molecular properties depend on complex…