Skip to main content

SARS-CoV2 Docking MLMol Benchmark Dataset

  • Tsaris, Aristeidis | Oak Ridge National Laboratory
  • Blanchard, Andrew | Oak Ridge National Laboratory
  • Gounley, John | Oak Ridge National Laboratory
Download dataset
Overview

Description

Processing a subset of the molecules dataset, described here: https://doi.ccs.ornl.gov/ui/doi/348 to be used for a Language Model Benchmark.

Funding resources

DOE contract number

DE-AC05-00OR22725

Originating research organization

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring organization

Office of Science (SC)

Details

DOI

10.13139/ORNLNCCS/1868058

Release date

May 20, 2022

Dataset

Dataset type

ND Numeric Data

Acknowledgements

Users should acknowledge the OLCF in all publications and presentations that speak to work performed on OLCF resources:

This work was carried out [in part] at Oak Ridge National Laboratory, managed by UT-Battelle, LLC for the U.S. Department of Energy under contract DE-AC05-00OR22725.