PECAN

The PECAN dataset provides structural data for antibody-antigen interactions, specifically curated for paratope and epitope binding site prediction. It includes a diverse set of antibody-antigen complexes, ensuring a well-balanced and representative dataset for training and evaluating deep learning models in protein-protein interaction (PPI) tasks.

Characteristics:

• Focuses on antibody-antigen binding site prediction.
• Derived from high-resolution X-ray crystallography structures.
• Includes training, validation, and test splits.
• Used as a benchmark dataset in multiple antibody binding site prediction studies.

Motivation and Use Cases:

• Facilitates the development of deep learning models for paratope and epitope identification.
• Enables researchers to evaluate and compare methods for antibody-antigen interaction prediction.
• Used in ParaSurf, a deep learning framework that achieves state-of-the-art results on this dataset.