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Dataset: Datasets and Machine Learning Models for Accurate Estimates of Solvation Energy in Multiple Solvents
https://doi.org/10.18126/tvys-3xcr
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Datasets and code associated with "Datasets and Machine Learning Models for Accurate Estimates of Solvation Energy in Multiple Solvents." Includes the Anaconda environment, training datasets, and model files used in the paper.
Logan Ward
Naveen Dandu
Ben Blaiszik
Badri Narayanan
Rajeev S. Assary
Paul C. Redfern
Ian Foster
Larry A. Curtiss
lward@anl.gov
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DOI registered
February 12, 2021
via DataCite
Dataset published 2021 in
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