arxivcs.LGq-bio.BM2026-07-10
Vilya-1: An all-atom foundation model for macrocycle structure prediction and design
Vilya Research, :, Pascal Sturmfels, Milad Salem, Naozumi Hiranuma, Stephen Rettie, et al.
Macrocyclic peptides are an increasingly important therapeutic modality, but existing computational methods for modeling their structures and properties are limited in scope and do not generalize well across the synthetically accessible chemical space. In this work, we introduce…