Machine learning in crystallography and structural science

Simon J.L. Billinge; Thomas Proffen

doi:10.1107/S2053273324000172

Machine learning in crystallography and structural science

Simon J.L. Billinge, Thomas Proffen

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Abstract

An overview of the virtual collection on machine learning (ML) in crystallography and structural science, as represented in Acta Crystallographica Sections A, B and D, IUCrJ and Journal of Synchrotron Radiation, is presented. Some terms and concepts related to artificial intelligence and machine learning are briefly introduced and described, and a short history of ML in structural science as it appeared in these IUCr journals is given to whet the appetite for the rest of the collection.

Original language	English
Pages (from-to)	139-145
Number of pages	7
Journal	Acta Crystallographica Section A: Foundations and Advances
Volume	80
Issue number	Pt 2
DOIs	https://doi.org/10.1107/S2053273324000172
State	Published - Jan 26 2024

Keywords

IUCr Journals
artificial intelligence
deep learning
machine learning
neural networks

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10.1107/S2053273324000172

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KW - deep learning

KW - machine learning

KW - neural networks

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JF - Acta Crystallographica Section A: Foundations and Advances

IS - Pt 2

ER -

Machine learning in crystallography and structural science

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