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"Physical pooling functions in graph neural networks for molecular property ..."

Artur M. Schweidtmann et al. (2023)

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DOI: 10.1016/J.COMPCHEMENG.2023.108202

access: closed

type: Journal Article

metadata version: 2023-09-30

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  - https://dblp.org/rec/journals/cce/SchweidtmannRWGDLM23
Artur M. Schweidtmann, Jan G. Rittig, Jana M. Weber, Martin Grohe, Manuel Dahmen, Kai Leonhard, Alexander Mitsos:
Physical pooling functions in graph neural networks for molecular property prediction. Comput. Chem. Eng. 172: 108202 (2023)

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