ModelCrystal Graph Convolutional Neural Network
CGCNN
A convolutional neural network model that models crystal structures as graphs, used to predict material properties such as formation energy and band gap.
Timeline (last 90 days)
Oct 18
Graph neural networks (GNN) treat crystal structures as graphs and aggregate neighbor information through message passing to predict properties such as formation energy, band gap and elastic modulus, with typical models including CGCNN, SchNet, MEGNet and ALIGNN.
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