Machine learning in crystallography and structural science
Simon J. L. Billinge, Thomas Proffen
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.
Topics & Concepts
Computer scienceArtificial intelligenceSynchrotron radiationOpticsPhysicsX-ray Diffraction in CrystallographyMachine Learning in Materials ScienceEnzyme Structure and Function