Author

Ivan Anishchanka

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Preprint Jul 2026

Vilya-1: An all-atom foundation model for macrocycle structure prediction and design

Vilya-1 is introduced, a deep learning model that addresses two central challenges in macrocycle design: sampling biologically relevant conformations across arbitrary chemistries and predicting key developability properties such as membrane permeability.

Vilya Research Pascal Sturmfels, M. Salem, Naozumi Hiranuma et al. · 1 citation

Preprint Jul 2026

Accurate structural modeling of chemically diverse molecular interfaces with Vilya-2

Vilya-2 is the structure-prediction oracle that de novo peptide design pipelines require--establishing the all-atom approach as a general foundation for the design and evaluation of de novo peptide therapeutics.

Vilya Research Pascal Sturmfels, Naozumi Hiranuma, M. Salem et al. · 0 citations