Datasets & Benchmarks

Training & evaluation datasets, scientific ML benchmarks

TU Delft Turbulent Wake Dataset

Turbulence / Experimental & Simulation Validation
Classic experimental & simulation dataset of turbulent wakes/cavity flows from TU Delft - covers multiple bluff-body flows, a standard CFD validation benchmark.
CC BY 4.0 TurbulenceWakeBluff-Body Flow

U-bend Thermal-Fluid Dataset

Conjugate Heat Transfer / Parametric Simulation
10,000 parametric 90 degree bend fluid-thermal coupling simulations across curvature ratios and Reynolds numbers - for heat-exchanger design and surrogates.
MIT Heat ExchangerBendThermal Coupling

CFD Benchmark Dataset

CFD/Computational Fluid Dynamics
A comprehensive benchmark dataset for training and evaluating neural PDE solvers, containing six standard tasks on regular grids, structured grids, and irregular geometries, used for unified evaluation in the ICML 2024 paper Transolver.
other Neural PDE SolverCFDBenchmark Dataset

CFDBench: Computational Fluid Dynamics Benchmark Dataset

CFD/Computational Fluid Dynamics
A large-scale benchmark dataset for machine learning in computational fluid dynamics, covering four classic CFD problems—lid-driven cavity, laminar pipe flow, dam-break, and flow around a cylinder—to evaluate neural operator generalization under unseen conditions.
apache-2.0 computational fluid dynamicsbenchmark datasetneural operators

CFD Surrogate Data

Computational Fluid Dynamics
A computational fluid dynamics surrogate model training dataset hosted on HuggingFace by user harryshah14.
See LICENSE file Computational Fluid DynamicsSurrogate ModelCFD Dataset

FuXi-CFD Wind Field Dataset

CFD
Large-scale CFD-generated wind field dataset with over 12,000 cases, designed for training and evaluating the terrain-informed machine learning model FuXi-CFD for fine-scale 3D wind field reconstruction.
See LICENSE file wind field simulationCFDmachine learning

32wind-CFD Dataset

CFD/Computational Fluid Dynamics
A computational fluid dynamics dataset hosted on HuggingFace, focusing on wind-related fluid simulation data for CFD researchers and engineers.
apache-2.0 computational fluid dynamicswind simulationCFD dataset

PES2O Materials Science Pretraining Corpus 780M

Materials
A large-scale pretraining corpus for materials science, containing approximately 780M tokens of RefinedWeb data, designed for training AI models for materials discovery and molecular dynamics research.
See LICENSE file materials sciencepretraining corpusAI materials discovery

MaCroScope Physics 20k Cleaned Dataset

ScientificML
A cleaned version of the MaCroScope physics-related experimental dataset with approximately 20k entries, hosted on HuggingFace for research purposes.
See LICENSE file datasetphysics experimentMaCroScope

PLAID

Industrial Heterogeneous-Mesh Simulation
ICML 2026 industrial physics-ML dataset with 6 heterogeneous-mesh simulation sets, CGNS-compatible, distributed via HF+Zarr - closest to real CAE workflows.
BSD 3-Clause License IndustrialHeterogeneous MeshCGNS

MaCroScope-Physics-10k Physical Macroscopic Dataset

ScientificML
MaCroScope physical macroscopic dataset with 10k samples for machine learning training and evaluation in physics-related scenarios.
See LICENSE file macroscopic microscopyphysical datasetmachine learning

MaCroScope-Physics-5k Dataset

ScientificML
A HuggingFace-hosted machine learning dataset for physics domain, part of the MaCroScope series, with Physics-5k containing approximately 5000 samples.
See LICENSE file datasetphysics machine learningMaCroScope

MaCroScope-Physics-1k Dataset

ScientificML
MaCroScope-Physics-1k is a physics-related scientific dataset published by the ai4collaboration team, designed to support research at the intersection of physical modeling and machine learning.
See LICENSE file datasetphysics sciencemachine learning

MaCroScope-Physics-4k Dataset

ScientificML
MaCroScope-Physics-4k is a physics-related dataset hosted by ai4collaboration on HuggingFace, with the name suggesting approximately 4,000 samples, potentially for machine learning and physics modeling research.
See LICENSE file datasetphysics sciencemachine learning

TIDE

3D Turbulence (DNS Validation)
2026 3D turbulent DNS benchmark with 5 tasks and controlled generalization splits, designed to test extrapolation of turbulence models.
MIT License TurbulenceDNS3D

GeoPT Downstream Physics Simulation Dataset

CFD
A physics simulation dataset accompanying the GeoPT paper, covering 5 downstream tasks including aerodynamic simulations, with metadata on mesh sizes, variables, and train/test splits.
See LICENSE file physics simulation datasetgeometric pre-trainingaerodynamic simulation

DrivAerNet++

Automotive Aerodynamics / Large-Scale CFD
MIT's large-scale automotive aerodynamics dataset: 8,000 parametric car geometries with CFD flow fields, meshes and aerodynamic coefficients.
Creative Commons Attribution-NonCommercial 4.0 AutomotiveAeroCFD

Materials Science and Engineering Domain Ontologies

Materials
A collection of domain ontologies for materials science and engineering, providing semantic organization of core concepts including structure, properties, processing, and performance for knowledge reasoning applications.
See LICENSE file Materials ScienceOntologyKnowledge Graph

PDEArena

PDE Benchmark / Differentiable Solver
Microsoft Research's open-source PDE benchmark suite with differentiable solvers and spatiotemporal dynamics data for evaluating long-horizon rollout stability.
MIT PDEBenchmarkDifferentiable Solver

The Well

Multiphysics / PDE - 16 Domains
Unified benchmark spanning 16 physical domains, dubbed the 'ImageNet moment of physical ML', with PyTorch API, pretrained baselines and HF streaming.
Per subset (mostly CC-BY / code MIT) MultiphysicsBenchmarkPyTorch
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