Open access
Aug 2026
Structure-free, site-resolved contrastive learning extends small-molecule discovery beyond the reach of structure-based modeling
Ptarmigan-1 is presented, a contrastive model that co-embeds the residues of a protein with candidate small molecules in a shared latent space, from sequence and two-dimensional chemistry alone, and without ever constructing a pose.
W. Fondrie, D. Canzani, L. Tatka et al.
· bioRxiv · 1 citation