Sources of irreducible error for the G2Ea prediction task warrant more detailed consideration moving forward. Incomplete conformational sampling results in the curation of TSs that are not the lowest barrier possible, and thus out-of-distribution for training and prediction. Likewise, unintended TSs (i.e., true saddle points that nonetheless correspond to reactions that are different from the labeled reactants and products) are commonly produced by TS search algorithms. Due to the incorrect input features, unintended samples are intrinsically unpredictable by G2Ea models.