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ResearchFormerly WizWand

Graph regression on Peptides struct (test)

0.2425MAEUniGCN
0.213280.4105150.607750.804985Feb 17, 2023Sep 1, 2023Mar 16, 2024Sep 29, 2024Apr 14, 2025Oct 28, 2025May 13, 2026
Updated 4mo ago

Evaluation results

MethodLinks
UniGCN2026.050.2425
TF+GFSEBackbone=Transformer, Structural Encoding=GFSE2025.040.2436
Schrödinger2026.050.2439
Graph ViT2026.050.2449
MGT + WavePENo. Params=499k2023.020.2453
MGTPositional Encoding=WavePE2023.080.2453
GraphGPSencoding=HDSE2023.080.2457
GRITParameters=~500K2023.050.246
GRIT2023.080.246
GCN2026.050.246
GRIT2026.050.246
Lie UniGCN2026.050.246
GPS+GPSEBackbone=GPS, Structural Encoding=GPSE2025.040.2464
GINE2026.050.2473
GPS+GFSEBackbone=GPS, Structural Encoding=GFSE2025.040.2474
Graph ViT/MLP-Mixer2023.080.2475
GatedGCN2026.050.2477
TF+GPSEBackbone=Transformer, Structural Encoding=GPSE2025.040.2479
Exphormer2023.080.2481
Exphormer2026.050.2481
MGT + LapPENo. Params=499k2023.020.2488
MGT + RWPENo. Params=499k2023.020.2496
GPSParameters=~500K2023.050.25
GraphGPS2023.080.25
GPSBackbone=GPS, Structural Encoding=None2025.040.25
TransformerComplexity=O(N^2), Positional Encoding=Baseline2025.090.25
GPS+LapPEBackbone=GPS, Structural Encoding=LapPE2025.040.2501
CRAWL2026.050.2506
GPS2026.050.2509
GCN+GFSEBackbone=GCN, Structural Encoding=GFSE2025.040.2513
TF+LapPEBackbone=Transformer, Structural Encoding=LapPE2025.040.2514
CIN++2023.060.2523
TransformerEncoding=LapPE2023.060.2529
Transformer + LapPENo. Params=488k2023.020.2529
Transformer+LapPEParameters=~500K2023.050.2529
GT2023.080.2529
DRew2023.080.2536
DRew2026.050.2536
SANEncoding=RWSE2023.060.2545
SAN + RWPENo. Params=500k2023.020.2545
SAN+RWSEParameters=~500K2023.050.2545
SANPositional Encoding=RWSE2023.080.2545
GUMP2026.050.2564
WIREModel Architecture=Performer, Complexity=O(N)2025.090.2566
GIN+GPSEBackbone=GIN, Structural Encoding=GPSE2025.040.2581
PerformerComplexity=O(N), Positional Encoding=Baseline2025.090.2616
GIN+LapPEBackbone=GIN, Structural Encoding=LapPE2025.040.265
GIN+GFSEBackbone=GIN, Structural Encoding=GFSE2025.040.2674
SANEncoding=LapPE2023.060.2683
SAN + LapPENo. Params=493k2023.020.2683
SAN+LapPEParameters=~500K2023.050.2683
GCN+LapPEBackbone=GCN, Structural Encoding=LapPE2025.040.2688
S-CGIBDomain Adaptation=true2024.120.269
GCN+GPSEBackbone=GCN, Structural Encoding=GPSE2025.040.271
GPS+RWSEBackbone=GPS, Structural Encoding=RWSE2025.040.2739
S-CGIBDomain Adaptation=false2024.120.306
GraphFPCF2023.100.3137
MGSSL2024.120.322
GraphFP2024.120.327
GCN+RWSEBackbone=GCN, Structural Encoding=RWSE2025.040.327
GIN+RWSEBackbone=GIN, Structural Encoding=RWSE2025.040.3282
MICRO-Graph2024.120.332
TF+RWSEBackbone=Transformer, Structural Encoding=RWSE2025.040.3344
GatedGCNEncoding=RWSE2023.060.3357
GatedGCN + RWPENo. Params=506k2023.020.3357
GatedGCN+RWSEParameters=~500K2023.050.3357
GatedGCN+RWSEstructural encoding=RWSE2023.100.3357
GatedGCNPositional Encoding=RWSE2023.080.3357
GatedGCN2023.060.342
GatedGCNNo. Params=509k2023.020.342
GatedGCNParameters=~500K2023.050.342
GatedGCN2023.100.342
GatedGCN2023.080.342
GCNII2023.060.3471
GCNII2023.100.3471
GCN2023.060.3496
GCNNo. Params=508k2023.020.3496
GCNParameters=~500K2023.050.3496
GCN2023.100.3496
GCN2023.080.3496
GCNBackbone=GCN, Structural Encoding=None2025.040.3496
GINE2023.060.3547
GINENo. Params=476k2023.020.3547
GINEParameters=~500K2023.050.3547
GIN2023.100.3547
GINE2023.080.3547
GINBackbone=GIN, Structural Encoding=None2025.040.3547
SimSGT2024.120.358
MoAMa2024.120.365
GROVE2024.120.376
GraphLoG2024.120.419
TransformerBackbone=Transformer, Structural Encoding=None2025.040.4192
MLP2023.060.4351
JOAO2024.120.463
JOAOv22024.120.541
EdgePred2024.120.546
Infomax2024.120.574
AttrMasking2024.120.58
ContextPred2024.120.587
GraphCL2024.120.973