Datasets & Benchmarks

Training & evaluation datasets, scientific ML benchmarks

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PDE-OBS Partial Differential Equation Benchmark Dataset

ScientificML
A benchmark dataset of complete numerical solutions for seven PDE families including Darcy, Poisson, and Helmholtz, generated by the benchmark's own solvers for scientific ML model evaluation.
See LICENSE file PDE benchmarknumerical solution datasetscientific ML

Adaption Materials Science QA Augmented Dataset

Materials
A technical Q&A dataset covering fundamental and advanced topics in materials science, including material properties, synthesis methods, characterization techniques, and engineering applications, designed for training technical response models.
See LICENSE file materials sciencetechnical Q&Asynthesis methods

PDE Surrogate Benchmark Dataset

ScientificML
A benchmark dataset for PDE surrogate tasks within the ai4sci-tasks evaluation framework, containing training trajectories and evaluation splits for assessing neural operator and surrogate modeling performance.
See LICENSE file PDE SurrogateBenchmark DatasetScientific ML

Science Materials Dataset

Materials
A materials science dataset hosted on HuggingFace, supporting machine learning and materials science cross-disciplinary research, containing relevant domain training or evaluation samples.
See LICENSE file Materials ScienceDatasetMachine Learning

SPUS PDE-UNet-36M Navier-Stokes PWC Model

CFD
A 36M-parameter UNet-based model for solving Navier-Stokes equations using a point-wise coupling strategy for high-accuracy flow field prediction.
See LICENSE file Navier-StokesPDE SolvingUNet

interpolant_pdes Dataset

ScientificML
A HuggingFace dataset repository related to PDE interpolants, supporting research at the intersection of physics modeling and machine learning.
See LICENSE file PDEinterpolantdataset

PDECert Natural-Candidate Pilot Benchmark

ScientificML
A provenance-bearing benchmark for verifying symbolic candidate solutions to PDEs, containing 20 records with generator outputs, verification cases, and human annotations for assessing symbolic solver reliability.
See LICENSE file PDESymbolic SolvingBenchmark

Cross-Representation PDE Evaluation Dataset

ScientificML
A PDE evaluation dataset containing 32 physical systems, each with four representations: source code, natural-language description, governing equation, and numerical trajectory, with both correct and corrupted variants.
See LICENSE file PDE evaluationcross-representation learningphysical systems

PDE Solver Code Perturbation Evaluation Dataset

ScientificML
A code perturbation dataset with 256 PDE solver implementations comprising 64 base programs and 4 lexical perturbation variants each, designed for evaluating LLM understanding of physics simulation code.
See LICENSE file PDE solvercode perturbationLLM evaluation

PDEControl_DPC - TI-DeepONet Training Datasets

ScientificML
Simulation training datasets for PDE control containing 3000 controlled trajectories generated by classical numerical solvers under randomly sampled control sequences, designed for training TI-DeepONet surrogate models.
See LICENSE file PDE controlDeepONetNeural operator

cluster-03-potential-flow-pinn Model

Physics-Informed Neural Networks
A HuggingFace repository containing a potential flow PINN clustering model, providing physics-informed neural network resources for potential flow modeling.
mit Physics-Informed Neural NetworksPotential FlowClustering

Materials Platform for Data Science

Materials
A comprehensive materials science dataset with ~500K peer-reviewed publications, 139K phase diagrams, 409K crystalline nanostructures, and 1M+ physical property sets, enabling computational materials design and ML-driven materials informatics research.
See LICENSE file Materials ScienceCrystal StructurePhase Diagram

Downstream_Physics_Simulation Dataset

ScientificML
A downstream physics simulation dataset accompanying the GeoPT paper, containing multi-scale mesh data across 5 simulation tasks to validate the generalization of geometric pre-trained neural simulation models across diverse physics domains.
See LICENSE file physics simulation datageometric pre-trainingneural simulation

CFD Surrogate Data

CFD Surrogate
A HuggingFace-hosted dataset repository for computational fluid dynamics surrogate modeling, containing data resources for CFD simulation and surrogate model development.
apache-2.0 Computational Fluid DynamicsSurrogate ModelDataset

CFDBench

CFD Benchmark / Multi-Scenario
Multiphysics benchmark for computational fluid dynamics covering internal/external flows and thermal convection - includes transient and steady-state data.
See LICENSE file CFDFluidThermal Convection

FuXi-CFD Dataset

Computational Fluid Dynamics
A large-scale CFD-generated wind field simulation dataset containing over 12,000 cases, designed for training and evaluating terrain-informed machine learning models to reconstruct fine-scale 3D wind fields
See LICENSE file CFDwind field simulationmachine learning

PDEBench

PDE Benchmark / Multi-Equation
Large-scale PDE benchmark covering heat, advection-diffusion and fluid dynamics - supports fair comparison of data-driven and physics-informed methods.
MIT License BenchmarkPDECFD
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