Biomolecules constantly change shape, but many biologically important processes occur too slowly to be captured by conventional molecular simulations. Gen-COMPAS uses AI to identify rare molecular events, discover intermediate structures, and reconstruct transition pathways. Using computing resources accessible to most research groups and NAMD, it revealed an intermediate state for a complex membrane protein that was subsequently validated experimentally. Rather than moving molecules faster, Gen-COMPAS learns where to look, opening new ways to uncover how molecular machines make life possible. Read more in a recent paper in Nature by Chipot and colleagues.