Molecular contrastive learning of representations via graph neural networks

Wang, Yuyang; Wang, Jianren; Cao, Zhonglin; Barati Farimani, Amir

doi:10.1038/s42256-022-00447-x

Molecular contrastive learning of representations via graph neural networks

Journal Article · 01 March 2022 · Nature Machine Intelligence

DOI:https://doi.org/10.1038/s42256-022-00447-x· OSTI ID:1978742

; Wang, Jianren; ;

Not provided.

Research Organization:: Carnegie Mellon Univ., Pittsburgh, PA (United States)

Sponsoring Organization:: USDOE Advanced Research Projects Agency - Energy (ARPA-E)

DOE Contract Number:: AR0001221

OSTI ID:: 1978742

Journal Information:: Nature Machine Intelligence, Vol. 4, Issue 3; ISSN 2522-5839

Publisher:: Springer Nature

Country of Publication:: United States

Language:: English

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