Dataset Open Access

ATOM3D: Protein Structure Ranking (PSR) Dataset

Townshend, Raphael J.L.; Vögele, Martin; Suriana, Patricia; Derry, Alexander; Powers, Alexander; Laloudakis, Yianni; Balachandar, Sidhika; Anderson, Brandon; Eismann, Stephan; Kondor, Risi; Altman, Russ B.; Dror, Ron O.

Protein Structure Ranking (PSR) dataset from the ATOM3D project. This upload includes three zipped data directories:

  1. Full, unsplit dataset in LMDB format
  2. Split datasets, with each in LMDB format
  3. Text files containing train, validation, and test indices used to split raw dataset
  4. README containing dataset details
Files (10.1 GB)
Name Size
PSR-raw.tar.gz
md5:80caef3c98febb70951fa244c8303039
8.1 GB Download
PSR-split-by-year-indices.tar.gz
md5:bd7f3a498a4fdc47ae86b52d4dd34d73
103.8 kB Download
PSR-split-by-year.tar.gz
md5:8647b9d10d0a79dff81d1d83c825e74c
2.0 GB Download
README.md
md5:7067d84fa5888bab5b2bece3f9e13e2b
2.2 kB Download
  • Townshend, R. J. L. et al. ATOM3D: Tasks On Molecules in Three Dimensions. In review (2020). http://arxiv.org/abs/2012.04035.

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

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