Vilya-1, a unified all-atom diffusion model, nearly doubles success rates for sampling near-native macrocycle ring conformations versus physics and co-folding baselines and transfers to property prediction and topology-aware design.
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Vilya-1: An all-atom foundation model for macrocycle structure prediction and design
Vilya-1, a unified all-atom diffusion model, nearly doubles success rates for sampling near-native macrocycle ring conformations versus physics and co-folding baselines and transfers to property prediction and topology-aware design.