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Unobserved Cocrystal Crystal Structure Prediction Landscapes

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]

Record type: 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
Restricted to System admin until 15 July 2022.
Text
README_D1470.txt - Text
Download (877B)

More information

Published date: 2022

Identifiers

Local EPrints ID: 442471
URI: http://eprints.soton.ac.uk/id/eprint/442471
PURE UUID: ab7764c1-9b33-49a1-a22c-6be7a462c446
ORCID for Graeme M. Day: ORCID iD orcid.org/0000-0001-8396-2771
ORCID for Chris-Kriton Skylaris: ORCID iD orcid.org/0000-0003-0258-3433

Catalogue record

Date deposited: 16 Jul 2020 16:30
Last modified: 17 Jul 2020 00:32

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