Kelin Wu

GalaxyVS: Exploring 100-Billion Compounds in Seconds

GalaxyVS rapidly screens 100 billion compounds against protein structures, achieving high throughput and releasing a cross-species interaction database.

Beyond Lipschitz: Ranking Binding Affinity in Hyperbolic Space

This paper introduces AlphaRank, a deep learning model that ranks protein-ligand binding affinity using hyperbolic geometry to overcome limitations of Euclidean space models.