DOE OSTI · 1863655
Sigma profiles in deep learning: towards a universal molecular descriptor
Abstract
Sigma profiles are shown to be universal molecular descriptors in the prediction of material properties using powerful deep learning methodologies.
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Abranches, Dinis O., Zhang, Yong, Maginn, Edward J., Colón, Yamil J.. 2022-05-05. Sigma profiles in deep learning: towards a universal molecular descriptor. https://doi.org/10.1039/d2cc01549h
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