Protein Structure Ranking (PSR)

• Impact: Proteins are one of the primary workhorses of the cell, and knowing their structure is often critical to understanding (and engineering) their function.
• Dataset description: The Critical Assessment of Structure Prediction (CASP) (Kryshtafovych et al., 2019) is a blind international competition for predicting protein structure.
• Task: We formulate this as a regression task, where we predict the global distance test (GDT_TS) from the true structure for each of the predicted structures submitted in the last 18 years of CASP.
• Splitting criteria: We split structures temporally by competition year.
• Downloads: The full dataset, split data, and split indices are available for download via Zenodo (doi:10.5281/zenodo.4915648)

References

Kryshtafovych, A., Schwede, T., et al. (2019). Proteins: Structure, Function and Bioinformatics, 87(12), 1011-1020.

License

This dataset is licensed under a Creative Commons CC-BY license.