Query: title:(Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials), Author: Jørgensen

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title:(Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials) Author: Jørgensen

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title:(Neural AND Message AND Passing AND with AND Edge AND Updates AND for AND Predicting AND Properties AND of AND Molecules AND and AND Materials)

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1 Preprint article

Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials

Jørgensen, Peter Bjørn; Jacobsen, Karsten Wedel; Schmidt, Mikkel N.

Neural message passing on molecular graphs is one of the most promising methods for predicting formation energy and other properties of molecules and materials. In this work we extend the neural message passing model with an edge update network which allows the information exchanged between atoms

Year: 2018

Language: Undetermined

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2 Conference paper

Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials