2026
Contrastive Geometric Learning Unlocks Unified Structure- and Ligand-Based Drug Design
ICML 2026poster
Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale. In this work, we introduce **Con**trastive **G**eometric **L**earning for **U**nified Computational **D**rug D**e**sign (ConGLUDe…