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Journal Articles Journal of Computational Chemistry Year : 2021

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

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hal-03603262 , version 1 (08-02-2024)

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Bastien Casier, Mauricio Chagas Da 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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