"Predicting Infrared Spectra with Message Passing Neural Networks."

Charles McGill et al. (2021)

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DOI: 10.1021/ACS.JCIM.1C00055

access: closed

type: Journal Article

metadata version: 2021-09-16

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Charles McGill, Michael Forsuelo, Yanfei Guan, William H. Green Jr.:
Predicting Infrared Spectra with Message Passing Neural Networks. J. Chem. Inf. Model. 61(6): 2594-2609 (2021)

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