TU Dortmund

ENZYMES

Graph Classification PyG dataset page ↗PyG ↗

Structure

600Graphs
33Nodes
62Edges
6Classes
3Node Feature Dim

Coverage

380Results
1Variants
58Papers
6-class graph classification TU Dortmund graph classification on 6 enzyme reaction classes (600 graphs, subset of BRENDA database). Uses the released node/edge labels or attributes; several social datasets are featureless. Evaluated by Accuracy.

Dataset details

Task

TU Dortmund graph classification on 6 enzyme reaction classes (600 graphs, subset of BRENDA database). The primary catalog metric is Accuracy.

Data

TU Dortmund graph classification on 6 enzyme reaction classes (600 graphs, subset of BRENDA database). The cataloged artifact reports 600 graphs, 6 target classes or tasks.

Features

The TU text format may contain discrete node or edge labels and optional continuous attributes. Social-network datasets commonly have no intrinsic node attributes, so papers often add constant or degree features; that choice changes the input.

Splits and evaluation

The catalog records these protocols or variants: 10-fold CV. Evaluation uses Accuracy (higher is better). Exact masks or folds must come from the cited release.

Quirks and pitfalls

TU datasets have no canonical train/test split. Report cross-validation folds, seeds, feature construction, and whether duplicate or isomorphic graphs were removed; published results can otherwise differ for protocol rather than model quality.

Sources

SOTA Progression

new SOTA matches SOTA at that time other proposed result other baseline result

Leaderboard

#ModelAccuracy ↑AUCClusteringDegreeF (macro)F (micro)Joint Node Label & DegreeNSPDKOrbitUniquenessPaper
1
GMN
0.7866
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2
MemGNN
0.7550
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3
TFGW SP
0.7510 ± 0.0500
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4
TFGW ADJ
0.7380 ± 0.0460
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5
PDF
0.7350 ± 0.0639
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6
Norm-GN
0.7333 ± 0.0796
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7
WWL
0.7325 ± 0.0087
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8
A-NLSF
0.7301 ± 0.0080
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9
MFN
0.7290 ± 0.0755
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10
Spec-GN
0.7250 ± 0.0579
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11
FGW - ADJ
0.7220 ± 0.0400
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12
MEAN
0.7167
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13
UniAug
0.7150 ± 0.0585
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14
WWL
0.7140 ± 0.0510
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15
PGCN_g+DropNode
0.7050
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16
FGW - SP
0.7050 ± 0.0620
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17
GFN
0.7017 ± 0.0558
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18
GatedGCN
0.7000 ± 0.0494
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19
WL
0.6950 ± 0.0320
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20
GCN_g+DropNode
0.6900
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21
GAT
0.6850 ± 0.0524
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22
RBF-WL
0.6843 ± 0.0147
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23
FLAG
0.6835 ± 0.0745
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24
SUM
0.6833
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25
MAX
0.6833
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26
UnionSNN
0.6817 ± 0.0570
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27
GraphAug
0.6814 ± 0.0792
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28
UnionGatedGCN
0.6783 ± 0.0687
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29
UnionGIN
0.6783 ± 0.0610
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30
GIN + FA
0.6770 ± 0.0530
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31
GraphSNN
0.6767 ± 0.0374
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32
GIN
0.6767 ± 0.0583
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33
OT-GNN
0.6730 ± 0.0430
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34
S-Mixup
0.6685 ± 0.0704
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35
GCN
0.6650 ± 0.0691
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36
GCN + 2FC
0.6645
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37
HGK-SP
0.6636 ± 0.0037
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38
FCN (2FC)
0.6617
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39
PGCN_g+2FC
0.6617
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40
NLSF
0.6594 ± 0.0160
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41
vanilla GCN
0.6583 ± 0.0461
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42
GCN-4
0.6580 ± 0.0460
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43
DropGIN
0.6580 ± 0.0270
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44
GATED-GCN-4
0.6570 ± 0.0490
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45
DiffPool +FA
0.6570 ± 0.0480
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46
gh
0.6565 ± 0.0080
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47
SGCL-T
0.6530 ± 0.0360
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48
No Struct
0.6520 ± 0.0640
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49
EigenPool
0.6500
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50
EigenPooling-1
0.6500
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SOTA performance set a new SOTA at the time matched the SOTA at the time