Performance metrics are summarized in Figure . Panels A and B show the performance for trajectory systems with translations below 2 Å, i.e., focus on the most feasible HAT reactions, while panels D to F show measurements using all available trajectory data. For completeness, evaluations on synthetic data alone are shown in Figure . As can be seen from Figure A, we achieve MAEs of 2.4 ± 2.5 kcal/mol using the ensemble model. Individual models only achieve 2.7 ± 2.7 kcal/mol on average on the trajectory data with the translation cutoff in place (Figure ).