Dataset Open Access

ATOM3D: Residue Identity (RES) 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.

Residue Identity (RES) 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 (36.0 GB)
Name Size
README.md
md5:3c9702f5d3026e21a1793afa1b451b39
1.6 kB Download
RES-raw.tar.gz
md5:3d6b6c61efb890a8baa303280b6589d9
31.6 GB Download
RES-split-by-cath-topology-indices.tar.gz
md5:d3aea582607dee0d30c19e6eae584859
60.9 kB Download
RES-split-by-cath-topology.tar.gz
md5:c93125eb93d89e3b5898d5781c538662
4.4 GB Download
  • Townshend, R. J. L. et al. ATOM3D: Tasks On Molecules in Three Dimensions. In review (2020). http://arxiv.org/abs/2012.04035.

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