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Graph Classification datasets
archive 2025-07-28
54 datasets carry the task tag "Graph Classification" (the task itself: Graph Classification), ordered by the archive's paper count. Page 1 of 2: 48 shown of 54. Facet routes are this site's own (the archive records the tag string, not a page).
The archive holds 12,214 dataset rows; 12,172 are listed. 6 are withheld from every listing and count here as vandalised before snapshot (6 with contact-centre spam in the title, 0 with a spam description on a row that has no homepage, no paper and no papers counted; none with more than 1 paper, 0 with a benchmark), listed in withheld.json; 1 listed row carries a vandalised description, withheld on its page. This gate never withholds a row with a homepage or a paper that resolves, and a clean description; the content rules below withhold a row whose name is spam whatever else it carries. The gate is a phrase list: these are the rows it caught, not a claim that the rest is clean. Before that gate, the site's content rules withhold 36 more rows (invite-code, gambling, travel-booking, contact-centre and similar spam in the name or on a row with nothing real behind it); they have no page and are listed in withheld.json.
Filter 50 task tags shown of 3,717, by dataset count; the full filter by modality, task and language is on /datasets
Graph Classification datasets 1–48 of 54
description withheld: archive row vandalised before snapshot
16,145 papers · 91 benchmarks
The MNIST database (Modified National Institute of Standards and Technology database) is a large collection of handwritten digits.
7,651 papers · 44 benchmarks
The PubMed dataset consists of 19717 scientific publications from PubMed database pertaining to diabetes classified into one of three classes.
1,236 papers · 19 benchmarks
OGB (Open Graph Benchmark)
The Open Graph Benchmark (OGB) is a collection of realistic, large-scale, and diverse benchmark datasets for machine learning on graphs.
1,000 papers · 17 benchmarks
The Reddit dataset is a graph dataset from Reddit posts made in the month of September, 2014.
699 papers · 8 benchmarks
The Cora dataset consists of 2708 scientific publications classified into one of seven classes.
602 papers · 18 benchmarks
The CiteSeer dataset consists of 3312 scientific publications classified into one of six classes.
381 papers · 13 benchmarks
PROTEINS is a dataset of proteins that are classified as enzymes or non-enzymes.
371 papers · 1 benchmark
IMDB-BINARY is a movie collaboration dataset that consists of the ego-networks of 1,000 actors/actresses who played roles in movies in IMDB.
326 papers · 2 benchmarks
In particular, MUTAG is a collection of nitroaromatic compounds and the goal is to predict their mutagenicity on Salmonella typhimurium.
274 papers · 3 benchmarks
The NCI1 dataset comes from the cheminformatics domain, where each input graph is used as representation of a chemical compound: each vertex stands for an atom of the molecule, and edges between vertices represent bonds between atoms.
260 papers · 2 benchmarks
COLLAB is a scientific collaboration dataset.
259 papers · 2 benchmarks
IMDB-MULTI is a relational dataset that consists of a network of 1000 actors or actresses who played roles in movies in IMDB.
243 papers · 3 benchmarks
ENZYMES is a dataset of 600 protein tertiary structures obtained from the BRENDA enzyme database.
202 papers · 1 benchmark
REDDIT-BINARY consists of graphs corresponding to online discussions on Reddit.
150 papers · 1 benchmark
PTC (Predictive Toxicology Challenge)
PTC is a collection of 344 chemical compounds represented as graphs which report the carcinogenicity for rats.
111 papers · 1 benchmark
Tudataset: A collection of benchmark datasets for learning with graphs
96 papers · 1 benchmark
Reddit-5K is a relational dataset extracted from Reddit.
78 papers · 1 benchmark
The Long Range Graph Benchmark (LRGB) is a collection of 5 graph learning datasets that arguably require long-range reasoning to achieve strong performance in a given task.
76 papers · 4 benchmarks
It's a synthetic dataset, which contains 1000 graphs divided into two classes according to the motif they contain: either a “house” or a five-node cycle.
48 papers · 1 benchmark
CSL is a synthetic dataset introduced in Murphy et al.
34 papers · 2 benchmarks
The Tox21 data set comprises 12,060 training samples and 647 test samples that represent chemical compounds.
30 papers · 4 benchmarks
ADNI (Alzheimer's Disease NeuroImaging Initiative)
Alzheimer's Disease Neuroimaging Initiative (ADNI) is a multisite study that aims to improve clinical trials for the prevention and treatment of Alzheimer’s disease (AD).[1] This cooperative study combines expertise and funding from the…
28 papers · 5 benchmarks
The BBBP dataset comes from a study focused on modeling and predicting the permeability of the blood-brain barrier.
28 papers · 5 benchmarks
OASIS (Open Annotations of Single Image Surfaces)
A dataset for single-image 3D in the wild consisting of annotations of detailed 3D geometry for 140,000 images.
28 papers · 3 benchmarks
Reddit12k contains 11929 graphs each corresponding to an online discussion thread where nodes represent users, and an edge represents the fact that one of the two users responded to the comment of the other user.
24 papers · 1 benchmark
The BACE dataset focuses on inhibitors of human beta-secretase 1 (BACE-1).
22 papers · 4 benchmarks
Digits (Optical Recognition of Handwritten Digits)
The DIGITS dataset consists of 1797 8×8 grayscale images (1439 for training and 360 for testing) of handwritten digits.
21 papers · 3 benchmarks
The HIV dataset was introduced by the Drug Therapeutics Program (DTP) AIDS Antiviral Screen, which tested the ability to inhibit HIV replication for over 40,000 compounds.
20 papers · 5 benchmarks
SIDER contains information on marketed medicines and their recorded adverse drug reactions.
19 papers · 3 benchmarks
The ClinTox dataset compares drugs approved by the FDA and drugs that have failed clinical trials for toxicity reasons.
19 papers · 3 benchmarks
MalNet is a large public graph database, representing a large-scale ontology of software function call graphs.
17 papers · 2 benchmarks
ToxCast is an initiative by the U.S.
15 papers · 4 benchmarks
Linux (Linux Program Dependence Graphs)
The LINUX dataset consists of 48,747 Program Dependence Graphs (PDG) generated from the Linux kernel.
14 papers · 0 benchmarks
Mutagenicity is a chemical compound dataset of drugs, which can be categorized into two classes: mutagen and non-mutagen.
13 papers · 1 benchmark
UPFD (User Preference-aware Fake News Detection)
For benchmarking, please refer to its variant UPFD-POL and UPFD-GOS.
13 papers · 0 benchmarks
The Maximum Unbiased Validation (MUV) dataset is a benchmark dataset selected from PubChem BioAssay.
12 papers · 3 benchmarks
These data are the results of a chemical analysis of wines grown in the same region in Italy but derived from three different cultivars.
11 papers · 6 benchmarks
UPFD-GOS (User Preference-aware Fake News Detection)
The Gossipcop variant of the UPFD dataset for benchmarking.
3 papers · 1 benchmark
ApisTox contains molecules in SMILES format for predicting pesticides toxicity to honey bees.
2 papers · 0 benchmarks
The sampled 2-hop subgraphs centered on Exchange accounts on the Ethereum Interaction graph.
2 papers · 0 benchmarks
GVLQA (Graph Vision-Language Question-Answering)
GVLQA is the first vision-language QA dataset for general graph reasoning.
2 papers · 0 benchmarks
HCP Aging (Lifespan Human Connectome Project Aging)
Lifespan HCP Release 2.0 includes cross-sectional visit 1 (V1) preprocessed structural and functional imaging data, unprocessed V1 imaging data for all included modalities (structural, high-res hippocampal T2, resting state fMRI, task…
2 papers · 1 benchmark
UK Biobank participants have generously provided a very wide range of information about their health and well-being since recruitment began in 2006.
2 papers · 1 benchmark
UPFD-POL (User Preference-aware Fake News Detection)
The PolitiFact variant of the UPFD dataset for benchmarking.
2 papers · 1 benchmark
The AIDS Antiviral Screen dataset is a dataset of screens checking tens of thousands of compounds for evidence of anti-HIV activity.
1 paper · 0 benchmarks
Paper counts and descriptions are the archive's, frozen 2025-07-28; no citation counts, no stars, no trending. Sorting by "most cited" or "newest" was a live-site feature the archive does not carry.