Dataset Open Access

ATOM3D: Protein-Protein Interactions (PPI) 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-Protein Interactions (PPI) 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 (44.4 GB)
Name Size
PPI-DIPS-split-indices.tar.gz
md5:40b9f6117acffaa9ef14f30ccf40bfc3
313.1 kB Download
PPI-DIPS-split.tar.gz
md5:b6095db528e4a2e1139fddc64b6965de
13.6 GB Download
PPI-raw.tar.gz
md5:621977d132b39957e3480a24a30a7358
30.9 GB Download
README.md
md5:441276eebafaae60f3158b1d4a5b6e76
2.5 kB Download
  • Townshend, R. J. L. et al. ATOM3D: Tasks On Molecules in Three Dimensions. In review (2020). http://arxiv.org/abs/2012.04035.

  • Townshend, R. J. L., Bedi, R., Suriana, P. A. & Dror, R. O. End-to-end learning on 3D protein structure for interface prediction. in Advances in Neural Information Processing Systems (eds. Wallach, H. et al.) vol. 32 15616–15625 (Curran Associates, Inc., 2019).

  • Vreven, T. et al. Updates to the Integrated Protein-Protein Interaction Benchmarks: Docking Benchmark Version 5 and Affinity Benchmark Version 2. J. Mol. Biol. 427, 3031–3041 (2015)

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