CHIMERA-Bench: A Benchmark Dataset for Epitope-Specific Antibody Design
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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.
Builds on
14 of 44 references.
References · 14
- 2021Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-designcited by 86
- 2022Conditional Antibody Design as 3D Equivariant Graph Translationcited by 75
- 2020ATOM3D: Tasks On Molecules in Three Dimensionscited by 74
- 2023End-to-End Full-Atom Antibody Designcited by 49
- 2023AbDiffuser: Full-Atom Generation of in vitro Functioning Antibodiescited by 35
- 2023AbODE: Ab Initio Antibody Design using Conjoined ODEscited by 15
- 2025dyAb: Flow Matching for Flexible Antibody Design with AlphaFold-driven Pre-binding Antigencited by 10
- 2024Retrieval Augmented Diffusion Model for Structure-informed Antibody Design and Optimizationcited by 9
- 2025Antibody Design and Optimization with Multi-scale Equivariant Graph Diffusion Models for Accurate Complex Antigen Bindingcited by 9
- 2024AsEP: Benchmarking Deep Learning Methods for Antibody-specific Epitope Predictioncited by 8
- 2024Relation-Aware Equivariant Graph Networks for Epitope-Unknown Antibody Design and Specificity Optimizationcited by 8
- 2025AbFlowNet: Optimizing Antibody-Antigen Binding Energy via Diffusion-GFlowNet Fusioncited by 4
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Citing papers per year: 2026: 4.
4 papers.
- 2026EvoStruct: Bridging Evolutionary and Structural Priors for Antibody CDR Design via Protein Language Model Adaptationcited by 0
- 2026ConTact: Contact-First Antibody CDR Design via Explicit Interface Reasoningcited by 0
- 2026AgForce Enables Antigen-conditioned Generative Antibody Designcited by 0
- 2026EpiBench: Can LLMs Understand Epitopes for Antibody Drug Discovery?cited by 0
- 2026EpiBench: Can LLMs Understand Epitopes for Antibody Drug Discovery?6 Aug 2026
- 2026AgForce Enables Antigen-conditioned Generative Antibody Design20 May 2026
- 2026ConTact: Contact-First Antibody CDR Design via Explicit Interface Reasoning20 May 2026
- 2026EvoStruct: Bridging Evolutionary and Structural Priors for Antibody CDR Design via Protein Language Model Adaptation20 May 2026