Deep Learning Coordinate-Free Quantum Chemistry.

Matlock, Matthew K; Hoffman, Max; Dang, Na Le; Folmsbee, Dakota L; Langkamp, Luke A; Hutchison, Geoffrey R; Kumar, Neeraj; Sarullo, Kathryn; Swamidass, S Joshua

Matlock, Matthew K; Hoffman, Max; Dang, Na Le; Folmsbee, Dakota L; Langkamp, Luke A; Hutchison, Geoffrey R; Kumar, Neeraj; Sarullo, Kathryn; Swamidass, S Joshua.

Afiliação

Matlock MK; Department of Pathology and Immunology, Washington University in St. Louis, Saint Louis, Missouri 63130, United States.
Hoffman M; Department of Pathology and Immunology, Washington University in St. Louis, Saint Louis, Missouri 63130, United States.
Dang NL; Department of Pathology and Immunology, Washington University in St. Louis, Saint Louis, Missouri 63130, United States.
Folmsbee DL; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States.
Langkamp LA; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States.
Hutchison GR; Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States.
Kumar N; Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States.
Sarullo K; Pacific Northwest National Laboratory, Computational Biology and Bioinformatics Group, Richland, Washington 99354, United States.
Swamidass SJ; Department of Pathology and Immunology, Washington University in St. Louis, Saint Louis, Missouri 63130, United States.

J Phys Chem A ; 125(40): 8978-8986, 2021 Oct 14.

Article em En | MEDLINE | ID: mdl-34609871

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: J Phys Chem A Ano de publicação: 2021 Tipo de documento: Article

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