ModelAtomistic Line Graph Neural Network
ALIGNN
A graph neural network model that combines atom graphs with bond-angle line graphs, used for high-accuracy prediction of material properties.
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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