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Transfer learning for a foundational chemistry model

Published version
Peer-reviewed

Repository DOI


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Abstract

Harnessing knowledge from crystal structures yields a model that can predict a variety of chemistry-relevant outcomes.

Description

Acknowledgements: I would like to acknowledge Dr Oliver P. King-Smith, Dr Alpha A. Lee, Dr Aaron Trowbridge, Dr Giacomo E. M. Crisenza, Prof. Jordi Burés, Prof. Igor Larrosa, and Prof. David Leigh for their insightful comments and discussions. Additionally, I am grateful to SmartR AI for access to their servers and the Royal Society for financial support through a Newton International Fellowship.

Journal Title

Chemical Science

Conference Name

Journal ISSN

2041-6520
2041-6539

Volume Title

Publisher

Royal Society of Chemistry (RSC)

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Except where otherwised noted, this item's license is described as http://creativecommons.org/licenses/by/3.0/
Sponsorship
Royal Society (Newton International Fellowship)