Molecular BiologybioRxivPreprint
Structure-free, site-resolved contrastive learning extends small-molecule discovery beyond the reach of structure-based modeling
William E. Fondrie, Daniele Canzani, Lillian Tatka…·Alexander Joel Federation
Ptarmigan-1 uses contrastive learning to predict small molecule-protein interactions without requiring 3D structure, outperforming traditional methods on challenging targets.
DOI 10.64898/2026.07.28.741295