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Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs.

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Bibliographic Details
Title: Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs.
Authors: Woods CJ; Advanced Computing Research Centre, University of Bristol, Bristol, United Kingdom.; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, United Kingdom.; OpenBioSim Community Interest Company, Edinburgh, United Kingdom., Hedges LO; Advanced Computing Research Centre, University of Bristol, Bristol, United Kingdom.; OpenBioSim Community Interest Company, Edinburgh, United Kingdom., Mulholland AJ; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, United Kingdom., Malaisree M; Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, United Kingdom., Tosco P; Cresset, Cambridgeshire, United Kingdom., Loeffler HH; Cresset, Cambridgeshire, United Kingdom., Suruzhon M; Exscientia Plc., Oxford, United Kingdom., Burman M; OpenBioSim Community Interest Company, Edinburgh, United Kingdom., Bariami S; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom., Bosisio S; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom., Calabro G; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom., Clark F; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom., Mey ASJS; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom., Michel J; OpenBioSim Community Interest Company, Edinburgh, United Kingdom.; EaStCHEM School of Chemistry, University of Edinburgh, Edinburgh, United Kingdom.
Source: The Journal of chemical physics [J Chem Phys] 2024 May 28; Vol. 160 (20).
Publication Type: Journal Article
Journal Info: Publisher: American Institute of Physics Country of Publication: United States NLM ID: 0375360 Publication Model: Print Cited Medium: Internet ISSN: 1089-7690 (Electronic) Linking ISSN: 00219606 NLM ISO Abbreviation: J Chem Phys Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1089-7690
DOI:10.1063/5.0200458