EwT gives the percentage of structures that have predicted energies within 1 kcal/mol of the computed DFT energy, providing an indicator of how many structures have ML predictions that provide an acceptable approximation of the DFT ground truth. The test set EwTs for the 16 models trained on all of tmQM wB97MV are shown in Table . The data for the neutral subsets can be found in the SI (Under 'tmQM wB97MV MAE and EwT Tables'). To assess the effects of dataset size on ML model performance, models were trained on increasingly large training set sizes, with a focus on how the training set size affected test set Other models have reported 0.5 meV/atom to be excellent accuracy, which is not attained by any model trained in this work. Much lower errors are seen when training with only neutral structures, which makes sense since the models do not incorporate charge data. The neutral curves seem to level off at high amounts of data, while models trained with the entire dataset do not.