Gittins, Hannah and Day, Graeme (2025) Can machine learning predict the space group preference of organic molecules? University of Southampton doi:10.5258/SOTON/D3912 [Dataset]
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Dataset
Abstract
This dataset contains the data to be shared associated with the publication 'Can machine learning predict the space group preference of organic molecules?' . The dataset contains a zip file of the data used to train the random forest and graph neural network models, and the models themselves.
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Published date: 2025
Identifiers
Local EPrints ID: 510789
URI: http://eprints.soton.ac.uk/id/eprint/510789
PURE UUID: cbf51971-2778-4c1c-a06f-88b07747b6d8
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Date deposited: 21 Apr 2026 17:03
Last modified: 22 Apr 2026 02:11
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Contributors
Creator:
Hannah Gittins
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