Hello, thank you so much for your work! Is the additional DFT data from NCIAtlas used for training publicly available?
I see PM6 and wb97M-D3BJ/def2-TZVPPD values for the validation sets are given in the SI.
I also see that the NCIAtlas repo has wb97M-D3BJ results, but at a different basis set than SPICE. Any help would be greatly appreciated!
Hello, thank you so much for your work! Is the additional DFT data from NCIAtlas used for training publicly available?
I see PM6 and wb97M-D3BJ/def2-TZVPPD values for the validation sets are given in the SI.
I also see that the NCIAtlas repo has wb97M-D3BJ results, but at a different basis set than SPICE. Any help would be greatly appreciated!