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Graph Regression datasets

archive 2025-07-28

21 datasets carry the task tag "Graph Regression" (the task itself: Graph Regression), ordered by the archive's paper count. Page 1 of 1: 21 shown of 21. 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 51 task tags shown of 3,717, by dataset count; the full filter by modality, task and language is on /datasets

All 12,172 Question Answering 413Semantic Segmentation 347Object Detection 332Image Classification 283Classification 222Text Classification 167Language Modelling 166Text Generation 162Visual Question Answering (VQA) 144Named Entity Recognition (NER) 130Pose Estimation 124Anomaly Detection 119Action Recognition 115Instance Segmentation 111Sentiment Analysis 104Text Summarization 98Domain Adaptation 96Speech Recognition 96Reading Comprehension 95Information Retrieval 932D Object Detection 92Image Retrieval 87Machine Translation 82Relation Extraction 822D Semantic Segmentation 81Natural Language Inference 81Image Captioning 79Image Generation 79Depth Estimation 77Node Classification 75Natural Language Understanding 72Autonomous Driving 70Code Generation 70Object Tracking 693D Object Detection 67Face Recognition 67Link Prediction 67Person Re-Identification 65Data Augmentation 63Multi-Task Learning 593D Reconstruction 58Common Sense Reasoning 56Recommendation Systems 56Video Understanding 56Optical Character Recognition (OCR) 55Graph Classification 54Abstractive Text Summarization 52Emotion Recognition 52Medical Image Segmentation 52Word Embeddings 52Graph Regression 21

Graph Regression datasets 1–21 of 21

ZINC
ZINC is a free database of commercially-available compounds for virtual screening.
InteractiveGraph RegressionGraph RankingMolecular Graph Generation
251 papers · 5 benchmarks
MoleculeNet
MoleculeNet is a large scale benchmark for molecular machine learning.
GraphsNode ClassificationGraph RegressionMolecular Property Prediction
240 papers · 1 benchmark
Long Range Graph Benchmark (LRGB)
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.
GraphsNode ClassificationLink PredictionGraph ClassificationGraph Regression
76 papers · 4 benchmarks
QM9
QM9 provides quantum chemical properties (at DFT level) for a relevant, consistent, and comprehensive chemical space of small organic molecules.
Drug DiscoveryTime SeriesGraph RegressionMolecular Property PredictionFormation EnergyMulti-Task Learning+5 tasks
76 papers · 9 benchmarks
OGB-LSC (OGB Large-Scale Challenge)
OGB Large-Scale Challenge (OGB-LSC) is a collection of three real-world datasets for advancing the state-of-the-art in large-scale graph ML.
GraphsNode ClassificationLink PredictionKnowledge GraphsGraph Regression
34 papers · 3 benchmarks
Tox21
The Tox21 data set comprises 12,060 training samples and 647 test samples that represent chemical compounds.
Graph ClassificationDrug DiscoveryGraph RegressionMolecular Property PredictionMolecular Property Prediction (1-shot))
30 papers · 4 benchmarks
ESOL (Estimated SOLubility)
ESOL is a water solubility prediction dataset consisting of 1128 samples.
Drug DiscoveryGraph RegressionMolecular Property PredictionLog Solubility
25 papers · 4 benchmarks
MD22
Using conservation of energy -- a fundamental property of closed classical and quantum mechanical systems -- we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a…
3DGraph RegressionMolecular Property PredictionAtomic Forces
20 papers · 0 benchmarks
dockstring
Regression dataset for molecular docking scores (predicted molecule-protein binding affinity).
GraphsGraph Regression
18 papers · 4 benchmarks
PCQM4Mv2-LSC
PCQM4Mv2 is a quantum chemistry dataset originally curated under the PubChemQC project.
Graph RegressionGraph Property Prediction
17 papers · 1 benchmark
$O_2$Perm (Oxygen Permeability)
The $O2$Perm dataset is created from the Membrane Society of Australasia portal.
Graph Regression
4 papers · 0 benchmarks
DrivAerNet (A Parametric Car Dataset for Data-driven Aerodynamic Design and Graph-Based Drag Prediction)
DrivAerNet is a large-scale, high-fidelity CFD dataset of 3D industry-standard car shapes designed for data-driven aerodynamic design.
3DPoint cloudTabular3d meshesPhysicsGraph RegressionPhysical Simulations3D Shape Modeling3D Geometry Prediction3D Anomaly Detection and SegmentationParameter Prediction+2 tasks
4 papers · 0 benchmarks
GlassTemp (Glass Transition Temperature)
The GlassTemp dataset is collected from Polyinfo.
GraphsGraph Regression
3 papers · 1 benchmark
MeltingTemp (Melting Temperature)
The MeltingTemp dataset is collected from Polyinfo.
Graph Regression
3 papers · 0 benchmarks
SupplyGraph (SupplyGraph: A Benchmark Dataset for Supply Chain Planning using Graph Neural Networks)
Graph Neural Networks (GNNs) have gained traction across different domains such as transportation, bio-informatics, language processing, and computer vision.
GraphsTabularTime seriesFinancialClassificationAnomaly DetectionTime Series ForecastingGraph RegressionRelation ClassificationHeterogeneous Node Classification+3 tasks
3 papers · 0 benchmarks
Cylinder in Crossflow
Cylinder in Crossflow is a synthetic dataset that involves unsteady laminar flow past a cylinder that generates vortex shedding pattern known as a von Kármán vortex street.
Graph Regression
2 papers · 0 benchmarks
GVLQA (Graph Vision-Language Question-Answering)
GVLQA is the first vision-language QA dataset for general graph reasoning.
ImagesGraphsGraph ClassificationGraph RegressionGraph Learning
2 papers · 0 benchmarks
PolyDensity (Polymer Density)
The PolyDensity is collected from Polyinfo.
Graph Regression
2 papers · 0 benchmarks
OCB (Open Circuit Benchmark)
OCB contains two graph datasets, Ckt-Bench-101 and Ckt-Bench-301, for representation learning over analog circuits.
Graph RegressionGraph LearningBayesian Optimization
1 paper · 0 benchmarks
PEM Fuel Cell Dataset (Proton Exchange Membrane (PEM) Fuel Cell Dataset)
This dataset are about Nafion 112 membrane standard tests and MEA activation tests of PEM fuel cell in various operation condition.
TabularTablesGraph RegressionDensity EstimationCapacity Estimation
1 paper · 0 benchmarks
hERG
hERG is a large-scale biophysics federated molecular dataset related to cardiac toxicity.
GraphsGraph Regression
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.