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Hybrid Localized Graph Kernel for Machine Learning Energy-related Properties of Molecules and Solids

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https://hal.univ-lorraine.fr/hal-03603262
Contributor : François Dehez Connect in order to contact the contributor
Submitted on : Wednesday, March 9, 2022 - 5:14:06 PM
Last modification on : Friday, April 1, 2022 - 3:55:01 AM

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Bastien Casier, Mauricio Silva, Michael Badawi, Fabien Pascale, Tomáš Bučko, et al.. Hybrid Localized Graph Kernel for Machine Learning Energy-related Properties of Molecules and Solids. Journal of Computational Chemistry, 2021, 42 (20), pp.1390--1401. ⟨10.1002/jcc.26550⟩. ⟨hal-03603262⟩

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