Author name: Alvaro Prat, Leo Zhang, Charlotte M. Deane, Yee Whye Teh, Garrett M. Morris

arXiv:2511.04854v2 Announce Type: replace
Abstract: Determining the binding pose of a ligand to a protein, known as molecular docking, is a fundamental task in drug discovery. Generative approaches promise faster, improved, and more diverse pose sampl…