Conformation-aware structure prediction of antigen-recognizing immune proteins

We introduce Ibex, a pan-immunoglobulin structure prediction model for antibodies, nanobodies, and T-cell receptors. Unlike previous approaches, Ibex explicitly distinguishes between bound and unbound protein conformations by training on labeled apo and holo structural pairs, enabling accurate prediction of both states at inference time. Ibex achieves state-of-the-art accuracy, demonstrating superior out-of-distribution performance on a comprehensive benchmark of high-resolution antibody structures with a mean CDR H3 RMSD of 2.28 Å. Ibex combines this accuracy with significantly reduced computational requirements, providing a robust foundation for accelerating large molecule design and therapeutic development.