As shown in Fig. , the performance of a multitask constrained D-MPNN was evaluated on a dataset containing six atomic and bond QM descriptors, with testing errors agreeing well with previous findings. . Importantly, Chemprop does not make use of the three-dimensional structure of the reactants, products and transition states but estimates barrier heights solely from the change in bonds, thus requiring minimal information to predict a new reaction. We furthermore note that simpler approaches such as models trained only on reactant structures or descriptors are not applicable to diverse reaction datasets.