DOE OSTI · 1868526
SARS-CoV2 Docking Dataset for MLMol Language Model (50M)
Abstract
This is a processed molecular dataset from this https://doi.ccs.ornl.gov/ui/doi/348 adding up to 50M molecules for the training and 486K molecules for the validation. Instructions on how to use/run/train this dataset can be found here: https://code.ornl.gov/candle/mlmol
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Tsaris, Aristeidis, Gounley, John, Blanchard, Andrew. 2022-05-20. SARS-CoV2 Docking Dataset for MLMol Language Model (50M). https://doi.org/10.13139/ornlnccs%2F1868526
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