Unobserved Cocrystal Crystal Structure Prediction Landscapes
Unobserved Cocrystal Crystal Structure Prediction Landscapes
Supporting data for Chapter 6 in thesis Fragment-Based Energy Models and Machine Learning Methods for the Computational Study of Organic Molecular Crystals. University of Southampton, 2020
University of Southampton
McDonagh, David
1ff4dd30-614e-484e-91b9-eef7002377a9
Day, Graeme M.
e3be79ba-ad12-4461-b735-74d5c4355636
Skylaris, Chris-Kriton
8f593d13-3ace-4558-ba08-04e48211af61
McDonagh, David
1ff4dd30-614e-484e-91b9-eef7002377a9
Day, Graeme M.
e3be79ba-ad12-4461-b735-74d5c4355636
Skylaris, Chris-Kriton
8f593d13-3ace-4558-ba08-04e48211af61
McDonagh, David
(2022)
Unobserved Cocrystal Crystal Structure Prediction Landscapes.
University of Southampton
doi:10.5258/SOTON/D1470
[Dataset]
Abstract
Supporting data for Chapter 6 in thesis Fragment-Based Energy Models and Machine Learning Methods for the Computational Study of Organic Molecular Crystals. University of Southampton, 2020
Archive
unobserved_cocrystal_csp_datasets.zip
- Dataset
Text
README_D1470.txt
- Text
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Published date: 2022
Identifiers
Local EPrints ID: 442471
URI: http://eprints.soton.ac.uk/id/eprint/442471
PURE UUID: ab7764c1-9b33-49a1-a22c-6be7a462c446
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Date deposited: 16 Jul 2020 16:30
Last modified: 06 May 2023 01:47
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Creator:
David McDonagh
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