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"Hybrid localized graph kernel for machine learning energy-related ..."

Bastien Casier et al. (2021)

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DOI: 10.1002/JCC.26550

access: closed

type: Journal Article

metadata version: 2022-08-16

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Bastien Casier, Mauricio Chagas da Silva, Michael Badawi, Fabien Pascale, Tomás Bucko, Sébastien Lebègue, Dario Rocca:
Hybrid localized graph kernel for machine learning energy-related properties of molecules and solids. J. Comput. Chem. 42(20): 1390-1401 (2021)

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