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ResearchFormerly WizWand

Graph Classification on Peptides-func (test)

72.07APSchrödinger
29.357240.446151.53562.6239Feb 17, 2023Sep 1, 2023Mar 16, 2024Sep 29, 2024Apr 14, 2025Oct 28, 2025May 13, 2026
Updated 4mo ago

Evaluation results

MethodLinks
Schrödinger2026.0572.07
Lie UniGCN2026.0571.73
DRew2026.0571.5
CRAWL2026.0570.74
UniGCN2026.0570.72
GRITParameters=~500K2023.0569.88
GRIT2024.0269.88
GRIT2026.0569.88
Graph ViT2026.0569.42
S-CGIBDomain Adaptation=true2024.1269.4
GPS+GFSEBackbone=GPS, Structural Encoding=GFSE2025.0468.74
GCN2026.0568.6
GUMP2026.0568.43
MGT + WavePENo. Params=499k2023.0268.17
GatedGCN2026.0567.65
MGT + LapPENo. Params=499k2023.0267.28
MGT + RWPENo. Params=499k2023.0267.09
GPS+GPSEBackbone=GPS, Structural Encoding=GPSE2025.0466.88
TIGT2024.0266.79
TF+GFSEBackbone=Transformer, Structural Encoding=GFSE2025.0466.42
GINE2026.0566.21
GPS+RWSEBackbone=GPS, Structural Encoding=RWSE2025.0466.03
S-CGIBDomain Adaptation=false2024.1265.8
CIN++2023.0665.69
SAN + RWPENo. Params=500k2023.0265.62
TransformerComplexity=O(N^2), Positional Encoding=Baseline2025.0965.4
GPSParameters=~500K2023.0565.35
GPS2024.0265.35
GPSBackbone=GPS, Structural Encoding=None2025.0465.35
TF+GPSEBackbone=Transformer, Structural Encoding=GPSE2025.0465.34
GPS2026.0565.34
Exphormer2026.0565.27
GPS+LapPEBackbone=GPS, Structural Encoding=LapPE2025.0464.94
WIREModel Architecture=Performer, Complexity=O(N)2025.0964.9
PerformerComplexity=O(N), Positional Encoding=Baseline2025.0964.4
SANEncoding=RWSE2023.0664.39
SAN+RWSEParameters=~500K2023.0564.39
SANencoding=RWSE2024.0264.39
SANEncoding=LapPE2023.0663.84
SAN + LapPENo. Params=493k2023.0263.84
SAN+LapPEParameters=~500K2023.0563.84
SANencoding=LapPE2024.0263.84
TransformerEncoding=LapPE2023.0663.26
Transformer + LapPENo. Params=488k2023.0263.26
Transformer+LapPEParameters=~500K2023.0563.26
Transformerencoding=LapPE2024.0263.26
TF+RWSEBackbone=Transformer, Structural Encoding=RWSE2025.0463.26
TF+LapPEBackbone=Transformer, Structural Encoding=LapPE2025.0463.07
GraphFPCF2023.1062.67
GraphFP2024.1261.8
GCN+GFSEBackbone=GCN, Structural Encoding=GFSE2025.0461.31
SimSGT2024.1261.2
GatedGCNEncoding=RWSE2023.0660.69
GatedGCN + RWPENo. Params=506k2023.0260.69
GatedGCN+RWSEParameters=~500K2023.0560.69
GatedGCN+RWSEstructural encoding=RWSE2023.1060.69
GatedGCNencoding=RWSE2024.0260.69
GCN+LapPEBackbone=GCN, Structural Encoding=LapPE2025.0460.21
GCN+GPSEBackbone=GCN, Structural Encoding=GPSE2025.0459.59
GCN2023.0659.3
GCNNo. Params=508k2023.0259.3
GCNParameters=~500K2023.0559.3
GCN2023.1059.3
GCN2024.0259.3
GCNBackbone=GCN, Structural Encoding=None2025.0459.3
GROVE2024.1258.7
GatedGCN2023.0658.64
GatedGCNNo. Params=509k2023.0258.64
GatedGCNParameters=~500K2023.0558.64
GatedGCN2023.1058.64
GatedGCN2024.0258.64
MoAMa2024.1258.4
GCN+RWSEBackbone=GCN, Structural Encoding=RWSE2025.0458.27
GCNII2023.0655.43
GCNII2023.1055.43
GIN+GFSEBackbone=GIN, Structural Encoding=GFSE2025.0455.32
GINE2023.0654.98
GINENo. Params=476k2023.0254.98
GINEParameters=~500K2023.0554.98
GIN2023.1054.98
GINE2024.0254.98
GINBackbone=GIN, Structural Encoding=None2025.0454.98
MGSSL2024.1254.1
GIN+RWSEBackbone=GIN, Structural Encoding=RWSE2025.0454.1
GIN+GPSEBackbone=GIN, Structural Encoding=GPSE2025.0453.89
GIN+LapPEBackbone=GIN, Structural Encoding=LapPE2025.0453.23
Cy2C-GNNs2024.0251.93
MICRO-Graph2024.1250.5
TransformerBackbone=Transformer, Structural Encoding=None2025.0448
MLP2023.0640.6
JOAOv22024.1239.8
JOAO2024.1238.6
GraphCL2024.1238
Infomax2024.1233.5
AttrMasking2024.1231.8
GraphLoG2024.1231.3
ContextPred2024.1231.1
EdgePred2024.1231