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CheMFi: A Multifidelity Dataset of Quantum Chemical Properties of Diverse Molecules

A diverse collection of multifidelity QC properties for 9 molecules, calculated at 5 different fidelities.

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Cite this as

Vivin Vinod, Peter Zaspel (2024). Dataset: CheMFi: A Multifidelity Dataset of Quantum Chemical Properties of Diverse Molecules. https://doi.org/10.57702/wscga2ud

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Additional Info

Field Value
Created December 16, 2024
Last update December 16, 2024
Defined In https://doi.org/10.48550/arXiv.2406.14149
Author Vivin Vinod
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Peter Zaspel
Homepage https://zenodo.org/records/11636903