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Convolutional Networks on Graphs for Learning Molecular ...

Recent work in materials design used neural networks to predict the properties of novel molecules by generalizing from examples. One difficulty with this task is that the input to the predictor, a molecule, can be of arbitrary size and shape. Currently, most machine learning pipelines can only handle inputs of a fixed size.

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  Network, Design, Material, Graph, Convolutional, Convolutional networks on graphs for, Materials design

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