Protein structure datasets for ML training and benchmarking

Protein structure datasets for machine learning. Contribute to BorgwardtLab/pr...

Abstract: We present ProteinShake, ... or load an extensive set of pre-processed datasets from biological data repositories such as the Protein Data Bank (PDB) and AlphaFol...

ProteinNet is a standardized data set for machine learning of protein structure.

Background Rapid progress in deep learning has spurred its application to bioinformatics problems including protein structure prediction and design. In classic mac...

ProteinNet is a standardized data set for machine learning of protein structure.

In this article, we provide background information on the availability of protein structure data and the significance of ProteinNet. Thereafter, we argue for the potentially benefi...

We find that AlphaFold 3 leads overall, yet antibody-antigen complexes, allosteric protein-ligand systems, and nucleic acids remain challenging. We release all data, code, and refe...

study benchmarked four protein structure prediction methods (Jpred4, PEP2D, PSIPRED, AlphaFold2) using 261 curated and experimentally known structures from the PDB...