<p>Nature Catalysis, Published online: 12 February 2026; <a href="https://www.nature.com/articles/s41929-026-01478-y">doi:10.1038/s41929-026-01478-y</a></p>Predicting the function of enzymes remains difficult and current computational methods require improvement. Now EnzymeCAGE, a geometric deep learning model, has been developed to more accurately predict the functions of uncharacterized enzymes and reconstruct biosynthetic pathways.