The methodology presented herein is reproducible from the EvalRetro Github. The RDKit package was utilised for molecule handling for SMILES and graph featurisation. The Graph Neural Networks are trained with Pytorch and Pytorch-geometric . Attention weights A * were extracted with the openNMT library for the GTA and TiedTransformer models. For the case study, two example reactions were taken from the USPTO-50k and three example reactions stem from literature/industrial examples.