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Paper · arXiv

AbGaze: Attentive Geometric Representation Learning for End-to-End Antibody Design

Computational antibody design requires representations that capture the geometric patterns underlying antigen--antibody interactions, yet existing approaches often rely on scalar distances or surface-intrinsic features, leaving cross-molecular geometry largely implicit. We present AbGaze, an end-to-end antibody design framework based on attentive geometric representation learning, which encodes distance, spatial direction, and surface-normal orientation of antigen surfaces relative to antibody-residue local frames, and adaptively aggregates these geometric interactions according to their interfacial context. The learned interaction representation is shared across multi-CDR co-design, comp...

AuthorsJiashuo Wang, Siqi Fan, Yizhen Luo et al.
Primary categorycs.AI
Published28 September 2026
Last updated at source28 September 2026
cs.AI
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