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ADA-GNN: Atom-Distance-Angle Graph Neural Network for Crystal Material Property Prediction
However, most of the existing works only consider bond distances and overlook bond angles.
PerCNet: Periodic Complete Representation for Crystal Graphs
To solve this many-to-one issue, we consider the global information by further considering dihedral angles, which can guarantee that the proposed representation corresponds one-to-one with the crystal material.
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