AtomWeaver: Multi-Component Flow Matching with a Structured Geometric Prior Facilitates Non-Canonical Peptide Design
Alexander Kitaygorodsky, David Earl Hostallero, Aron Broom, Elliot Layne, Sungwon Hwang, Ashlin K Kanawaty, Tomáš Babej, Glenn L. Butterfoss, Mark Fingerhuth
AtomWeaver enables non-canonical peptide design by using a geometric prior to generate side-chain atoms without restricting residue identity, achieving high agreement with experimental results.
bioRxiv · Sep 28, 2026 · PreprintBioengineering