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Small Molecule Classification on ogbg-molhiv (test)

79.7ROC-AUCDGN
74.468875.826977.18578.5431Jun 23, 2022Sep 13, 2022Dec 4, 2022Feb 24, 2023May 17, 2023Aug 7, 2023Oct 28, 2023

Evaluation results

MethodLinks
DGN2022.0679.7
ER (node) embeddings + HTfeature=ER node embeddings and Hitting Times, random rotations=true2022.0679.13
SEM-ILBackbone=GCN, Algorithm=SEM-IL2023.1079.09
SEM-ILBackbone=GIN, Algorithm=SEM-IL2023.1078.61
SEM-onlyBackbone=GCN, Algorithm=SEM-only2023.1078.4
SEM-onlyBackbone=GIN, Algorithm=SEM-only2023.1078.21
ER (node) embeddings + HTfeature=ER node embeddings and Hitting Times2022.0678.16
ER (node) embeddingsfeature=ER node embeddings2022.0677.77
ER GNNfeature=Effective Resistance2022.0677.75
Baseline+Backbone=GIN, Algorithm=Baseline+2023.1077.01
BaselineBackbone=GIN, Algorithm=Baseline2023.1076.99
Hitting Timesfeature=Hitting Times2022.0676.56
ER (node) embeddingsfeature=ER node embeddings, random rotations=true2022.0676.28
BaselineBackbone=GCN, Algorithm=Baseline2023.1076.25
ER (edge) embeddingsfeature=ER edge embeddings2022.0676.18
GCN2022.0676.06
Baseline+Backbone=GCN, Algorithm=Baseline+2023.1075.58
MPNN + Random Featuresrandom features=true2022.0675.52
MPNN2022.0674.67