Problem libraries

Commonly used reference datasets are listed here. These references compile several datasets for each domain of application.

Optimization benchmark instances

• OR library
• List of optimization instances by E. Taillard
• List of optimization instances by ekhoda
• List of optimization instances by the University of Bologna

Chemistry benchmark instances

• Molecular Quantum Chemical Data Sets and Databases [1]
• Awesome chemistry datasets

Machine learning benchmark instances

• MoleculeNet
• ImageNet
• Matbench (a benchmark for material science properties)