Structure-property maps with Kernel principal covariates regression

Benjamin A. Helfrecht, Rose K. Cersonsky, Guillaume Fraux, Michele Ceriotti. Structure-property maps with Kernel principal covariates regression. Mach. Learn. Sci. Technol., 1(4):45021, 2020. [doi]

Authors

Benjamin A. Helfrecht

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Rose K. Cersonsky

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Guillaume Fraux

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Michele Ceriotti

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