MLFGNN, a GAT combined with a DyT-augmented Graph Transformer and fingerprint cross-attention, reports best regression scores on five MoleculeNet benchmarks and best classification scores on two of five.
FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction.Briefings in bioinformatics 2022, 23, bbac408
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Multi-Level Fusion Graph Neural Network for Molecule Property Prediction
MLFGNN, a GAT combined with a DyT-augmented Graph Transformer and fingerprint cross-attention, reports best regression scores on five MoleculeNet benchmarks and best classification scores on two of five.