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ResearchFormerly WizWand

Molecular Property Regression on ZINC 10K (test)

0.151MAEHierarchical Inter-Message Passing
0.121440.320970.52050.72003Apr 2, 2019Aug 13, 2019Dec 24, 2019May 6, 2020Sep 16, 2020Jan 27, 2021Jun 10, 2021
Updated 8mo ago

Evaluation results

MethodLinks
Hierarchical Inter-Message Passing2020.060.151
DGN# PARAMS=98K2021.030.168
PHC-GNN# PARAMS=106K2021.030.185
PNA# PARAMS=95K2021.030.188
GIN-E2020.060.252
F-GINDownstream Classifier=Linear Regression + L22021.060.254
F-GINDownstream Classifier=Linear Regression + L22021.060.254
GINE-εType=Baseline2019.040.278
GATEDGCN-E2020.060.282
MONET2020.060.292
δ-2-LGNNType=Local2019.040.306
GCN2020.060.367
δ-2-GNNType=Baseline2019.040.374
GAT2020.060.384
GIN# PARAMS=103K2021.030.387
GRAPHSAGE2020.060.398
2-WL-GNNType=Baseline2019.040.399
GIN2020.060.408
GATEDGCN2020.060.435
GCN# PARAMS=103K2021.030.459
AD-GCL-OPTDownstream Classifier=Linear Regression + L22021.060.544
AD-GCL-OPTDownstream Classifier=Linear Regression + L22021.060.544
AD-GCL-FIXDownstream Classifier=Linear Regression + L22021.060.578
AD-GCL-FIXDownstream Classifier=Linear Regression + L22021.060.578
NAD-GCL-FIXDownstream Classifier=Linear Regression + L22021.060.609
NAD-GCL-OPTDownstream Classifier=Linear Regression + L22021.060.609
NAD-GCL-FIXDownstream Classifier=Linear Regression + L22021.060.609
NAD-GCL-OPTDownstream Classifier=Linear Regression + L22021.060.609
GraphCLDownstream Classifier=Linear Regression + L22021.060.627
GraphCLDownstream Classifier=Linear Regression + L22021.060.627
RU-GINDownstream Classifier=Linear Regression + L22021.060.809
RU-GINDownstream Classifier=Linear Regression + L22021.060.809
InfoGraphDownstream Classifier=Linear Regression + L22021.060.89
InfoGraphDownstream Classifier=Linear Regression + L22021.060.89