SARS-CoV2 Docking MLMol Benchmark Dataset

10.13139/ORNLNCCS/1868058

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.

Published: 2022-05-20 14:27:25 Download Dataset

Dataset Properties

Field	Value
Authors	Tsaris, Aristeidis Oak Ridge National Laboratory Blanchard, Andrew Oak Ridge National Laboratory Gounley, John Oak Ridge National Laboratory
Project Identifier	32102676
Dataset Type	ND Numeric Data
Originating Organizations	Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organizations	Office of Science (SC)
DOE Contract	DE-AC05-00OR22725

Acknowledgements

Papers using this dataset are requested to include the following text in their acknowledgements:

*Support for 10.13139/ORNLNCCS/1868058 is provided by the U.S. Department of Energy, project 32102676 under Contract DE-AC05-00OR22725. This research used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility.