Teaching Diffusion Models Physics: Reinforcement Learning for Physically Valid Diffusion-Based Docking
James Henry Broster, Bojana Popovic, Diana A. Kondinskaia, Charlotte M. Deane, Fergus Imrie
This paper improves diffusion-based molecular docking by using reinforcement learning to enforce physical validity, enhancing pose accuracy without increasing computational cost.
Chemical Science · Jan 1, 2026Peer-reviewedBioinformatics