CoV-UniBind: A Unified Antibody Binding Database for SARS-CoV-2

Abstract

Since the emergence of SARS-CoV-2, numerous studies have investigated antibody interactions with viral variants in vitro, and several datasets have been curated to compile available protein structures and experimental measurements. However, existing data remain fragmented, limiting their utility for the development and validation of machine learning models for antibody-antigen interaction prediction. Here, we present CoV-UniBind, a unified database comprising over 75,000 entries of SARS-CoV-2 antibody-antigen sequence, binding, and structural data, integrated and standardised from three public sources and multiple peer-reviewed publications. To demonstrate its utility, we benchmarked multiple protein folding and inverse folding models across tasks relevant to antibody design and vaccine development. We expect CoV-UniBind to facilitate future computational efforts in antibody and vaccine development against SARS-CoV-2. Availability and implementationThe curated datasets, structures, model scores and antibody synonyms are free to download at https://huggingface.co/datasets/InstaDeepAI/cov-unibind. Folded structures are available upon request.