65 citations · 70 across the 5 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2025★ 1 cited
PropMolFlow: Property-Guided Molecule Generation with Geometry-Complete Flow Matching
Cheng Zeng, Jirui Jin, Connor Ambrose +7
Molecule generation is advancing rapidly in chemical discovery and drug design. Flow matching methods have recently set the state of the art (SOTA) in unconditional molecule genera…
physics.chem-ph2024★ 2 cited
Guided Multi-objective Generative AI to Enhance Structure-based Drug Design
Amit Kadan, Kevin Ryczko, Erika Lloyd +2
Generative AI has the potential to revolutionize drug discovery. Yet, despite recent advances in deep learning, existing models cannot generate molecules that satisfy all desired p…