11 citations · 11 across the 10 of their papers we have counts for
4 papers · 1 filter
Few-step Cofolding with All-Atom Flow Maps
Gianluca Scarpellini, Ron Shprints, Peter Holderrieth +7
All-atom generative modeling of 3D biomolecular complexes has emerged as the dominant paradigm for predicting the structure of proteins and protein-ligand systems. Generating struc…
Discrete Flow Maps
Peter Potaptchik, Jason Yim, Adhi Saravanan +3
The sequential nature of autoregressive next-token prediction imposes a fundamental speed limit on large language models. While continuous flow models offer a path to parallel gene…
FragmentFlow: Scalable Transition State Generation for Large Molecules
Ron Shprints, Peter Holderrieth, Juno Nam +2
Transition states (TSs) are central to understanding and quantitatively predicting chemical reactivity and reaction mechanisms. Although traditional TS generation methods are compu…
Diamond Maps: Efficient Reward Alignment via Stochastic Flow Maps
Peter Holderrieth, Douglas Chen, Luca Eyring +7
Flow and diffusion models produce high-quality samples, but adapting them to user preferences or constraints post-training remains costly and brittle, a challenge commonly called r…