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Molecular Property Prediction on MoleculeNet Tox21 80/10/10 random split (test)

87.36ROC-AUCHierarchical Inter-Message Passing
79.081681.230883.3885.5292Jun 22, 2020

Evaluation results

MethodLinks
Hierarchical Inter-Message Passinglayers=2 or 32020.0687.36
GIN-E2020.0686.68
RP-NGF2020.0679.9
NGF2020.0679.4