Accurate structural modeling of chemically diverse molecular interfaces with Vilya-2
Structure-prediction networks built on co-evolutionary statistics have transformed protein-based drug discovery, yet their accuracy does not extend to peptide therapeutics--an increasingly important modality defined by non-canonical residues, macrocyclization, and complex topologies. We introduce Vilya-2, a diffusion transformer that extends the all-atom representation of Vilya-1 from modeling individual molecules to modeling their interactions with protein targets. This all-atom representation enables transfer learning between different molecular types, and delivers highly accurate structural modeling of peptides across sizes, classes, and compositions bound to therapeutically relevant t...
| Authors | Vilya Research, :, Pascal Sturmfels et al. |
|---|---|
| Primary category | cs.LG |
| Published | 28 July 2026 |
| Last updated at source | 28 July 2026 |
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