Aaron G. Garrison,
Javier Heras-Domingo,
John R. Kitchin,
Gabriel Dos Passos Gomes,
Zachary W. Ulissi,
Samuel M. Blau,
Version 0 of Colab Fit Dataset published 2024 via ColabFit
tmQM_wB97MV contains configurations from the tmQM dataset, with several structures from tmQM that were found to be missing hydrogens filtered out, and energies of all other structures recomputed at the wB97M-V/def2-SVPD level of DFT.