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Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design
Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale.
Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design
TLDR
Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale.