The initial atom and bond feature vectors in the CGR contain information on both the reactant and product features. Whenever information is not available, e.g. because a bond did not exist in either the reactants or products, the features are set to zero. A simple concatenation of reactant and product features can be used to obtain the pseudomolecule features (keyword --reaction_mode reac_prod). Since the atomic number does not change upon reaction, its one-hot encoding is not repeated in the second part of the feature vector. For many reaction properties the change in the local structure upon reaction, i.e. the difference between reactants and products, is very informative. Since neural networks are known to not perform well for adding and subtraction operations, we also provide options to include the difference in properties directly. Namely, one can concatenate the difference in atom and bond features with the reactant properties (keyword --reaction_mode reac_diff, default)