mlsanityData to 14 Oct 2026

CHIMERA-Bench: A Benchmark Dataset for Epitope-Specific Antibody Design

arXiv 2603.13431 ↗First posted 13 Mar 2026cs.LG cs.AIcited by 4

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Abstract (arXiv)

Computational antibody design has seen rapid methodological progress, with dozens of deep generative methods proposed in the past three years, yet the field lacks a standardized benchmark for fair comparison and model development. These methods are evaluated on different SAbDab snapshots, non-overlapping test sets, and incompatible metrics, and the literature fragments the design problem into numerous sub-tasks with no common definition. We introduce CHIMERA-Bench: (CDR Modeling with Epitope-guided Redesign), a unified benchmark built around a single canonical task: epitope-conditioned CDR sequence-structure co-design. CHIMERA-Bench provides three components. The first is a curated, deduplicated dataset of 2,922 antibody-antigen complexes with epitope and paratope annotations. The second is a set of three biologically motivated splits that test generalization to unseen epitopes, unseen antigen folds, and prospective temporal targets. The third is a comprehensive evaluation protocol with five metric groups, including novel epitope-specificity measures. We benchmark eleven methods spanning six generative paradigms and report results across all splits. CHIMERA-Bench is the largest dataset of its kind for the antibody design problem, allowing the community to develop and test novel methods and evaluate their generalizability.

Key facts. Cited by 4 papers in the map (data through 14 Oct 2026). Builds on 14 of its 44 references that are in the map. First posted on arXiv 13 Mar 2026.

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14 of 44 references.

References · 14

  1. 2021Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-designcited by 86
  2. 2022Conditional Antibody Design as 3D Equivariant Graph Translationcited by 75
  3. 2020ATOM3D: Tasks On Molecules in Three Dimensionscited by 74
  4. 2023End-to-End Full-Atom Antibody Designcited by 49
  5. 2023AbDiffuser: Full-Atom Generation of in vitro Functioning Antibodiescited by 35
  6. 2023AbODE: Ab Initio Antibody Design using Conjoined ODEscited by 15
  7. 2025dyAb: Flow Matching for Flexible Antibody Design with AlphaFold-driven Pre-binding Antigencited by 10
  8. 2024Retrieval Augmented Diffusion Model for Structure-informed Antibody Design and Optimizationcited by 9
  9. 2025Antibody Design and Optimization with Multi-scale Equivariant Graph Diffusion Models for Accurate Complex Antigen Bindingcited by 9
  10. 2024AsEP: Benchmarking Deep Learning Methods for Antibody-specific Epitope Predictioncited by 8
  11. 2024Relation-Aware Equivariant Graph Networks for Epitope-Unknown Antibody Design and Specificity Optimizationcited by 8
  12. 2025AbFlowNet: Optimizing Antibody-Antigen Binding Energy via Diffusion-GFlowNet Fusioncited by 4
2 more
  1. 2025AbBiBench: A Benchmark for Antibody Binding Affinity Maturation and Designcited by 4
  2. 2025Generative Co-Design of Antibody Sequences and Structures via Black-Box Guidance in a Shared Latent Spacecited by 1

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Citing papers per year: 2026: 4.

4 papers.