An assessment of the structural resolution of various fingerprints commonly used in machine learning

Behnam Parsaeifard, Deb Sankar De, Anders S. Christensen, Felix A. Faber, Emir Kocer, Sandip De, Jörg Behler, O. Anatole von Lilienfeld, Stefan Goedecker. An assessment of the structural resolution of various fingerprints commonly used in machine learning. Mach. Learn. Sci. Technol., 2(1):15018, 2021. [doi]

Authors

Behnam Parsaeifard

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Deb Sankar De

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Anders S. Christensen

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Felix A. Faber

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Emir Kocer

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Sandip De

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Jörg Behler

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O. Anatole von Lilienfeld

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Stefan Goedecker

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