Datasets

Browse current and legacy datasets by benchmark group; linked dataset pages include result tables and SOTA progression plots.

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OGB

Sources: OGB

ogbn-products

node classification 535 results

Predict one of 47 top-level product categories for every product node using its description representation and co-purchase neighborhood.

Best: Jacobi Accuracy: 0.9

ogbg-molhiv

graph classification 369 results

Predict whether a compound inhibits HIV replication.

Best: Multi-RF Fusion with Multi-GNN Blending ROC-AUC: 0.85

ogbn-papers100M

node classification 130 results

Predict a primary arXiv subject area for the approximately 1.5 million labeled arXiv papers while using the full 111-million-node citation network.

Best: SGC Accuracy: 0.79

ogbg-molpcba

graph classification 172 results

Predict activity separately for 128 PubChem BioAssay tasks.

Best: GRPE-Large AP: 0.32

ogbl-collab

link prediction 166 results

Rank future author-author collaboration edges above sampled non-edges, given collaborations observed in earlier years.

Best: PROXI Hits@50: 0.77

ogbn-arxiv

node classification 147 results

Predict each paper's primary arXiv computer-science category from its content representation and citation context.

Best: GIANT-XRT Accuracy: 0.76

ogbl-ddi

link prediction 135 results

Rank true drug-drug interaction edges above sampled non-interacting pairs.

Best: ELGNN Hits@20: 0.98

ogbl-ppa

link prediction 89 results

Predict held-out biologically meaningful protein-protein association edges.

Best: OGB Leader Hits@100: 0.65

ogbl-citation2

link prediction 105 results

For each 2019 source paper, rank a withheld true reference above 1,000 older, uncited candidate papers.

Best: CFG MRR: 0.9

ogbn-proteins

node classification 108 results

Predict all applicable Gene Ontology-derived function labels for each protein.

Best: LD ROC-AUC: 0.89

ogbn-mag

node classification 106 results

Predict the conference or journal of each paper using paper content, citations, authors, affiliations, and fields of study.

Best: LMSPS+LP+MS Accuracy: 0.58

PCQM4Mv2

graph regression 111 results

Predict each molecule's HOMO-LUMO energy gap, a continuous quantum-chemical property calculated with density functional theory.

Best: DeMol MAE: 0.06

ogbg-ppa

graph classification 43 results

Given a protein-association neighborhood, predict the broad taxonomic group of its source species.

Best: A-NLSF Accuracy: 0.81

ogbl-wikikg2

link prediction 49 results

Predict missing heads or tails of Wikidata triples.

Best: InterHT + DigPiece MRR: 0.73

ogbg-code2

graph classification 39 results

Predict the subtokens in a Python method's name from the method body represented as an abstract syntax tree.

Best: GMN F1: 0.21

ogbl-biokg

link prediction 12 results

Predict missing biomedical triples by ranking the true head or tail above sampled replacements of the same entity type.

Best: PairRE+LRE MRR: 0.84

MoleculeNet

Sources: MoleculeNet

Tox21

graph classification 457 results

Multi-task toxicity prediction (12 tasks) on NCI Tox21 challenge compounds.

Best: HIMP ROC-AUC: 0.87

BACE

graph classification 394 results

Binary classification — BACE-1 inhibitory activity (binding results for human beta-secretase 1).

Best: ProtoMol ROC-AUC: 0.91

BBBP

graph classification 395 results

Binary classification — blood-brain barrier permeability of molecules.

Best: MAGPrompt+ ROC-AUC: 0.94

ClinTox

graph classification 304 results

Clinical toxicity prediction — FDA-approved vs. failed drugs (2 tasks).

Best: SE(3)-I MPPH ROC-AUC: 0.99

SIDER

graph classification 289 results

Multi-label classification of marketed drug side effects (27 tasks).

Best: KA-GAT ROC-AUC: 0.85

ToxCast

graph classification 271 results

Multi-task toxicological profile prediction (617 tasks) from the EPA ToxCast program.

Best: GeomGCL ROC-AUC: 0.76

ESOL

graph regression 186 results

Aqueous solubility regression (log mol/L) on 1,128 molecules.

Best: Graphormer-SPIS RMSE: 0.48

FreeSolv

graph regression 155 results

Hydration free energy regression (kcal/mol) on 642 molecules.

Best: SE(3)-I MPPH RMSE: 0.35

Lipophilicity

graph regression 122 results

Octanol/water distribution coefficient (logD) regression on 4,200 molecules.

Best: MemGNN RMSE: 0.56

Heterogeneous Graph Benchmarks

Sources: Heterogeneous Graph Benchmarks, Heterogeneous Graph Benchmarks

DBLP

node classification 534 results

Heterogeneous academic graph — classify author nodes (4 research areas).

Best: LMSPS Micro-F1: 0.96

ACM

node classification 352 results

Heterogeneous ACM academic graph — classify paper nodes (3 areas).

Best: LMSPS Micro-F1: 0.95

IMDB

node classification 226 results

Heterogeneous IMDB graph — classify movie nodes (5 genres).

Best: ELLA Micro-F1: 0.79

Freebase

node classification 79 results

Heterogeneous Freebase knowledge graph node classification (8 entity types).

Best: ConCH Macro-F1: 0.65

LRGB

Sources: LRGB

Peptides-struct

graph regression 232 results

Predict 11 graph-level geometric descriptors computed from each peptide's 3D structure.

Best: GCN MAE: 0.24

Peptides-func

graph classification 246 results

Predict 10 non-exclusive peptide-function labels from OGB-featured molecular graphs without hydrogens.

Best: S^2GCN AP: 0.73

PascalVOC-SP

node classification 132 results

Assign one of 21 semantic-segmentation labels, including background, to every superpixel node.

Best: NeuralWalker F1: 0.49

PCQM-Contact

link prediction 109 results

Rank atom pairs that are more than five covalent-bond hops apart but less than 3.5 angstrom apart in the molecule's computed 3D geometry.

Best: FloydNet MRR: 0.61

COCO-SP

node classification 104 results

Predict one of 81 semantic labels for each superpixel node.

Best: FloydNet F1: 0.49

Heterophily Benchmark

Sources: Heterophily Benchmark

Roman-empire

node classification 308 results

Wikipedia Roman Empire article node classification (18 syntactic roles) from the heterophilic benchmark.

Best: Dir-Poly Accuracy: 0.95

Amazon-ratings

node classification 259 results

Amazon product co-purchase node classification (5 rating classes) from the heterophilic benchmark.

Best: UniGAP Accuracy: 0.64

Minesweeper

node classification 265 results

Synthetic Minesweeper grid graph binary node classification from the heterophilic benchmark.

Best: BuNN ROC-AUC: 0.99

Tolokers

node classification 237 results

Yandex Toloka worker network binary node classification from the heterophilic benchmark.

Best: Polynormer-r ROC-AUC: 0.86

Questions

node classification 252 results

Yandex Q&A expert network binary node classification from the heterophilic benchmark.

Best: NID_GAT ROC-AUC: 0.97

GNNBenchmark

Sources: GNNBenchmark

MNIST

graph classification 173 results

Graph classification on MNIST superpixel graphs (10 digit classes, 70k graphs).

Best: Schrödinger Accuracy: 0.99

CIFAR10

graph classification 154 results

Graph classification on CIFAR10 superpixel graphs (10 classes, 60k graphs).

Best: RandAlign Accuracy: 0.79

CLUSTER

node classification 156 results

Semi-supervised node classification on stochastic block model graphs (6 classes).

Best: GRPE-Small Accuracy: 0.82

PATTERN

node classification 153 results

Semi-supervised node classification — detect specific graph patterns (2 classes).

Best: DeepGraph (48) Accuracy: 0.91

CSL

graph classification 102 results

Circular skip link graphs — tests graph isomorphism discrimination (10 classes).

Best: PPGN Accuracy: 1

TSP

link prediction 27 results

Travelling salesman problem — edge classification (in/not in optimal tour).

Best: TGT-Agx4 F1: 0.87

Quantum Chemistry

Sources: Quantum Chemistry

MD17

graph regression 271 results

Ab-initio molecular dynamics — predict energy and forces for small organic molecules.

Best: QHNet MAE: 1e-05

LINKX Benchmarks

Sources: LINKX Benchmarks

Penn94

node classification 90 results

Facebook100 Penn94 social network node classification (binary gender).

Best: DC-GNN Accuracy: 0.87

arxiv-year

node classification 69 results

OGB-arXiv node classification by publication year (5 classes, heterophilic variant).

Best: LargeScaleNet Accuracy: 0.66

Pokec

node classification 70 results

Slovak social network Pokec node classification (binary gender, 1.6M nodes).

Best: SAGE Accuracy: 0.86

snap-patents

node classification 39 results

USPTO patent citation graph node classification (5 time-based classes).

Best: FaberNet Accuracy: 0.75

twitch-gamers

node classification 56 results

Twitch streamer network binary node classification (streaming language).

Best: DGT Accuracy: 0.66

Deezer

node classification 34 results

Deezer Europe user friendship graph binary node classification (like/dislike), used in LINKX-style non-homophily evaluations.

Best: GPM ROC-AUC: 0.67

Knowledge Graphs

Sources: Knowledge Graphs

WN18RR

link prediction 223 results

Knowledge graph link prediction on WordNet (40,943 entities, 11 relations).

Best: FedSage MRR: 0.84

FB15k-237

link prediction 142 results

Knowledge graph link prediction on Freebase (14,541 entities, 237 relations).

Best: sum, Msg_r^3, f(t)=0 MRR: 0.85

WN18

link prediction 16 results

Knowledge graph link prediction on WordNet (full, 18 relations).

Best: Inverse Model MRR: 0.96

Other Graph Benchmarks

No single introduction paper

Amazon2M

node classification 215 results

Predict each product’s category on a roughly two-million-node co-purchase graph.

Best: MA-GCL Accuracy: 0.89

MalNet-Tiny

graph classification 26 results

Predict one of five balanced malware families; nodes have no attributes on Android function-call graphs.

Best: GMN Accuracy: 0.94

ShapeNet-Part

node classification 24 results

Predict a part label for every point across 16 object categories and 50 part classes on 3D point clouds.

Best: GPS + k-MIP F1: 0.83

MovieLens Film

node classification 7 results

Predict one or more of nine genre labels per film; this is not the Actor/Film dataset on a MovieLens/IMDb movie graph.

Best: CLN-HWN-mini Micro-F1: 0.57

Hypergraph Benchmarks

Sources: Hypergraph Benchmarks

AMAP

node classification 113 results

Amazon Photography co-purchase graph node classification (8 categories).

Best: GANN F1: 0.94

UAT

node classification 78 results

US Airport Transactions hypergraph node classification (4 region classes, 1190 nodes).

Best: SCAGC F1: 0.73

BAT

node classification 53 results

Brazilian Airport Transactions hypergraph node classification (4 region classes, 131 nodes).

Best: GraphLearner F1: 0.75

EAT

node classification 40 results

European Airport Transactions hypergraph node classification (4 region classes, 399 nodes).

Best: SCAGC F1: 0.73

House

node classification 44 results

US House of Representatives voting hypergraph node classification (2 classes).

Best: HealHGNN Accuracy: 0.77

Cora-CA

node classification 26 results

Cora co-authorship hypergraph node classification (7 subject classes).

Best: HAN (full batch) Accuracy: 0.84

DBLP-CA

node classification 21 results

DBLP co-authorship hypergraph node classification (research area).

Best: HealHGNN Accuracy: 0.92

Walmart

node classification 17 results

Walmart co-purchase trip hypergraph node classification (product category, 11 classes).

Best: HealHGNN Accuracy: 0.68

Congress

node classification 13 results

US Congress bill co-sponsorship hypergraph node classification (2 classes).

Best: HealHGNN Accuracy: 0.93

Senate

node classification 14 results

US Senate voting hypergraph node classification (2 classes).

Best: HealHGNN Accuracy: 0.76

GraphBench

Sources: GraphBench

Algorithmic Reasoning

graph classification 8 results

Predict task-specific node, edge, or graph outputs for seven classical graph algorithms.

Best: Naive multi-task Accuracy: 1

BA graph

graph regression 5 results

Predict optimal objectives or decode feasible MIS, max-cut, and coloring solutions on Barabási–Albert graphs.

Best: Diffusion Wavelets Accuracy: 0.94

ER graph

graph regression 5 results

Predict optimal objectives or decode feasible MIS, max-cut, and coloring solutions on Erdős–Rényi graphs.

Best: Diffusion Wavelets Accuracy: 0.93

RB graph

graph regression 5 results

Predict optimal objectives or decode feasible MIS, max-cut, and coloring solutions on RB-model graphs.

Best: Diffusion Wavelets Accuracy: 0.85

Flow

graph regression 5 results

Predict one scalar per graph: the maximum feasible flow between designated source and sink vertices under the supplied edge capacities.

Best: RRWP MAE: 1.4

Algorithmic Graph Tasks

Sources: Algorithmic Graph Tasks

SSSP

node regression 32 results

Predict every node’s shortest-path distance from a marked source on synthetic graphs.

Best: TANGO-GPS MSE: -5.5

Eccentricity

node regression 23 results

Predict each node’s maximum shortest-path distance to any other node on synthetic graphs.

Best: GCN-SSM + k-hop MSE: -4.3

DualEquiNet RNA Benchmarks

Sources: DualEquiNet RNA Benchmarks

Tc-Ribo

graph regression 17 results

Predict one sequence-level expression shift induced by tetracycline binding on RNA graphs.

Best: G-Heyna RMSE: 0.55

ECHO Benchmark

Sources: ECHO Benchmark

ECHO-Synth

graph regression 13 results

Predict graph diameter, node eccentricity, and single-source shortest-path distances on synthetic graphs.

Best: GHR MAE: 0.035

City-Networks

Sources: City-Networks

Paris

node classification 17 results

Predict an accessibility class for every intersection on the Paris road graph.

Best: GAT Accuracy: 0.56

Shanghai

node classification 18 results

Predict an accessibility class for every intersection on the Shanghai road graph.

Best: GAT Accuracy: 0.73

London

node classification 15 results

Predict an accessibility class for every intersection on the London road graph.

Best: GatedGCN Accuracy: 0.61

Los Angeles

node classification 10 results

Predict an accessibility class for every intersection on the Los Angeles road graph.

Best: Exphormer Accuracy: 0.64

LRIM Graph Benchmark

Sources: Long-Range Ising Model Graph Benchmark

LRIM

node regression 8 results

Long-Range Ising Model benchmark for per-node energy prediction on periodic 2D grid graphs with controllable long-range interactions.

Best: GPS-RWSE log-MSE: -4.3

Power Flow Benchmarks

Sources: Power Flow Benchmarks

Case 1

graph regression 17 results

Jointly predict active power, reactive power, and voltage magnitude at buses plus active and reactive flow in both directions on every branch.

Best: RMGL Accuracy: 1

Case 2

graph regression 4 results

Jointly predict bus active/reactive power and voltage magnitude plus directional branch active/reactive flows on a real provincial grid.

Best: RMGL Accuracy: 0.99

HSG-12M

Sources: HSG-12M

HSG-12M

graph classification 8 results

Classify each Hamiltonian spectral graph into one of 1,401 characteristic-polynomial classes.

Best: GraphSAGE Accuracy: 0.55

HSG-topology

graph classification 8 results

Classify each topology-deduplicated Hamiltonian spectral graph into one of 1,401 characteristic-polynomial classes.

Best: GraphSAGE Accuracy: 0.62

Classic

Legacy No single introduction paper

Cora

node classification 1233 results

Predict one of seven research-topic labels for every paper in a single citation network.

Best: GraphSAGE+CNA Accuracy: 0.94

CiteSeer

node classification 1245 results

Predict each paper’s research topic from bag-of-words features and citation links on one citation graph.

Best: CNA Accuracy: 0.96

PubMed

node classification 1254 results

Predict one of three diabetes-related paper classes from TF-IDF features and citations on one citation graph.

Best: LGTL Accuracy: 0.95

Amazon-Photo

node classification 800 results

Predict each product’s category from review-derived features and product links on one co-purchase graph.

Best: GraphTARIF Accuracy: 0.97

Amazon-Computers

node classification 702 results

Predict each product’s category from review-derived features and product links on one co-purchase graph.

Best: GraphTARIF Accuracy: 0.95

Reddit

node classification 588 results

Predict the subreddit/community of each post from text-derived features on a post-interaction graph.

Best: EnGCN F1: 0.97

Coauthor-Physics

node classification 374 results

Predict each author’s physics field from paper-keyword features on one coauthorship graph.

Best: GrokFormer Accuracy: 0.98

PPI

node classification 310 results

Predict 121 non-exclusive Gene Ontology labels per protein from sequence/role features across protein-interaction graphs.

Best: GAMLP(JK) F1: 1

WikiCS

node classification 433 results

Predict each article’s computer-science category from text-derived features on a Wikipedia hyperlink graph.

Best: GCN Accuracy: 0.93

Coauthor-CS

node classification 281 results

Predict each author’s computer-science field from paper-keyword features on one coauthorship graph.

Best: DoG Accuracy: 0.97

ZINC

graph regression 137 results

Predict penalized logP (logP minus synthetic-accessibility and long-cycle penalties) on heavy-atom molecular graphs.

Best: TIGT MAE: 0.014

AQSOL

graph regression 27 results

Predict measured aqueous solubility on molecular graphs.

Best: Ours(100K) MAE: 0.92

TU Dortmund

Legacy Sources: TU Dortmund

MUTAG

graph classification 917 results

Graph classification of mutagenic aromatic and heteroaromatic nitro compounds (2 classes).

Best: MSH-GNN Accuracy: 0.99

NCI1

graph classification 713 results

Graph classification of chemical compounds screened for anti-cancer activity.

Best: WL-MLP Accuracy: 1

PROTEINS

graph classification 574 results

Graph classification of proteins as enzyme or non-enzyme (2 classes).

Best: MSH-GNN Accuracy: 0.94

COLLAB

graph classification 479 results

Graph classification of scientific collaboration networks (3 classes).

Best: WL-MLP Accuracy: 0.98

ENZYMES

graph classification 380 results

TU Dortmund graph classification on 6 enzyme reaction classes (600 graphs, subset of BRENDA database).

Best: GMN Accuracy: 0.79

D&D

graph classification 212 results

Graph classification of proteins into enzymes and non-enzymes via D&D representation.

Best: GC-GNN (GCN) Accuracy: 0.92

IMDB-BINARY

graph classification 189 results

Binary graph classification of movie collaboration networks (action vs. romance).

Best: ID-GNN+BEC Accuracy: 0.81

RDT-B

graph classification 108 results

Classify Reddit threads as question-answering or discussion; this is an alias of REDDIT-BINARY.

Best: OEPG Accuracy: 0.96

IMDB-MULTI

graph classification 120 results

Multi-class graph classification of movie collaboration networks (3 genres).

Best: GraphSNN Accuracy: 0.78

REDDIT-BINARY

graph classification 56 results

Binary graph classification of Reddit discussion threads (question-answering vs. online discussion).

Best: GIN-0 Accuracy: 0.92

REDDIT-MULTI-5K

graph classification 42 results

Multi-class graph classification of Reddit discussion threads (5 subreddits).

Best: SpeGCL Accuracy: 0.59

Heterophilic Graphs

Legacy Sources: Heterophilic Graphs, LINKX Benchmarks

Texas

node classification 827 results

Classify each webpage as student, project, course, staff, or faculty using the page text and hyperlink graph.

Best: P^2GNN Accuracy: 0.97

Cornell

node classification 751 results

WebKB node classification on Cornell university webpages (5 classes).

Best: P^2GNN Accuracy: 0.95

Actor

node classification 708 results

Actor co-occurrence node classification (5 classes) from the Geom-GCN paper.

Best: DiGGR Accuracy: 0.45

Chameleon

node classification 404 results

Wikipedia Chameleon page node classification (5 classes, heterophilic).

Best: Hetero-S (GAT 8-layer) Accuracy: 0.87

Squirrel

node classification 398 results

Wikipedia Squirrel page node classification (5 classes, heterophilic).

Best: IBG-NN Accuracy: 0.78

Wisconsin

node classification 284 results

WebKB node classification on Wisconsin university webpages (5 classes).

Best: DMD++ Accuracy: 0.92