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Theoretical and Computational Chemistry

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Message passing neural networks

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2 results in Keywords: Message passing neural networks

Theoretical and Computational Chemistry

Message Passing Neural Networks for Partial Charge Assignment to Metal-Organic Frameworks

Ali Raza, Arni Sturluson, Cory Simon, Xiaoli Fern

Version 1 posted 14 May 2020

832

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Theoretical and Computational Chemistry

Distilling Coarse-Grained Representations of Molecular Electronic Structure with Continuously Gated Message Passing

Charlie Maier, Chun-I Wang, Nicholas Jackson

Version 1 posted 03 October 2023

215

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