QeMFi

The QeMFi dataset is a benchmark used to evaluate multifidelity machine learning methods for predicting vertical excitation energies in quantum chemistry by incorporating training data from varying levels of accuracy.

Papers using QeMFi (3)

Benchmarking Data Efficiency in $\Delta$-ML and Multifidelity Models for Quantum Chemistry2024Investigating Data Hierarchies in Multifidelity Machine Learning for Excitation Energies2024QeMFi: A Multifidelity Dataset of Quantum Chemical Properties of Diverse Molecules2024 · 2 cites