SARS-CoV2 Docking MLMol Benchmark Dataset

Dataset · Fri May 20 00:00:00 EDT 2022

DOI:https://doi.org/10.13139/ORNLNCCS/1868058· OSTI ID:1868058

Tsaris, Aristeidis ^[1]; Blanchard, Andrew; Gounley, John

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1. ORNL-OLCF

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.

• Research Organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: Office of Science (SC)
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 1868058
• Country of Publication: United States
• Language: English