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01/08/2021
SE(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic Potentials
This work presents Neural Equivariant Interatomic Potentials (NequIP), a...
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08/19/2020
Relevance of Rotationally Equivariant Convolutions for Predicting Molecular Properties
Equivariant neural networks (ENNs) are graph neural networks embedded in...
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07/04/2020
