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Persistent Dirac for molecular representation

Molecular representations are of fundamental importance for the modeling and analysing molecular systems. The successes in drug design and materials discovery have been greatly contributed by molecular representation models. In this paper, we present a computational framework for molecular represent...

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Detalles Bibliográficos
Autores principales: Wee, Junjie, Bianconi, Ginestra, Xia, Kelin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10336089/
https://www.ncbi.nlm.nih.gov/pubmed/37433870
http://dx.doi.org/10.1038/s41598-023-37853-z