ConTact: Contact-First Antibody CDR Design via Explicit Interface Reasoning
Computational antibody CDR design methods condition on antigen structure to generate binding loops. Yet, the existing architectures conflate two fundamentally distinct sub-problems: identifying which CDR positions will contact the antigen, and selecting amino acids at those positions. This forces models to learn contact reasoning implicitly through uniform message passing, diluting antigen signal across all positions equally. We introduce ConTact, a contact-then-act architecture that explicitly decomposes CDR design into three cascaded stages: learning surface complementarity fingerprints, predicting CDR-antigen contacts, and injecting contact-gated antigen features into the prediction he...
| Authors | Mansoor Ahmed, Spencer VonBank, Nadeem Taj et al. |
|---|---|
| Primary category | cs.LG |
| Published | 20 May 2026 |
| Last updated at source | 11 August 2026 |
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