SARS-CoV2 Docking MLMol Benchmark Dataset

Tsaris, Aristeidis; Blanchard, Andrew; Gounley, John

doi:10.13139/ORNLNCCS/1868058

Title: SARS-CoV2 Docking MLMol Benchmark Dataset

Dataset
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Abstract

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.

Authors:: Tsaris, Aristeidis; Blanchard, Andrew; Gounley, John

Publication Date:: Fri May 20 00:00:00 EDT 2022

DOE Contract Number:: DE-AC05-00OR22725

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Org.:: USDOE Office of Science (SC)

OSTI Identifier:: 1868058

DOI:: https://doi.org/10.13139/ORNLNCCS/1868058

Citation Formats


                    Tsaris, Aristeidis, Blanchard, Andrew, and Gounley, John. SARS-CoV2 Docking MLMol Benchmark Dataset.  United States: N. p., 2022. 
        Web.  doi:10.13139/ORNLNCCS/1868058.

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                    Tsaris, Aristeidis, Blanchard, Andrew, & Gounley, John. SARS-CoV2 Docking MLMol Benchmark Dataset.  United States.  doi:https://doi.org/10.13139/ORNLNCCS/1868058

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                    Tsaris, Aristeidis, Blanchard, Andrew, and Gounley, John. 2022.  
"SARS-CoV2 Docking MLMol Benchmark Dataset".  United States.  doi:https://doi.org/10.13139/ORNLNCCS/1868058.  https://www.osti.gov/servlets/purl/1868058. Pub date:Fri May 20 00:00:00 EDT 2022

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@article{osti_1868058,

  title        = {SARS-CoV2 Docking MLMol Benchmark Dataset},

  author       = {Tsaris, Aristeidis and Blanchard, Andrew and Gounley, John},

  abstractNote = {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.},

  doi          = {10.13139/ORNLNCCS/1868058},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 20 00:00:00 EDT 2022},

  month        = {Fri May 20 00:00:00 EDT 2022}

}

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DOI: https://doi.org/10.13139/ORNLNCCS/1868058

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