In the Supporting Information, we furthermore report other benchmark experiments including a comparison to GSchNet for C 5 H 12 O, C 6 H 14 O, and C 7 H 16 O, as well as hyperparameter scans. We find that LoGAN is especially suited to extrapolate to new stoichiometries, which again is a direct result of the critic architecture being based on local instead of global environment descriptors.