We call the benchmarking set the PaRoutes (patent routes) framework. It is a framework for benchmarking route predictions because we acknowledge that not all methods are built the same. For instance, we have herein benchmarked algorithms using template-based one-step retrosynthesis methods, but there exist a plethora of alternatives. Therefore, researchers should be able to pick the parts of the framework that is applicable to their methods. If your one-step retrosynthesis model is based on templates, you can re-train it using the provided USPTO subset, which includes RDChiral-derived templates . If you on the other hand want to derive templates yourself, or if you are using a template-free one-step model, you can use the atom-mapped reaction SMILES. Furthermore, if you have your own set of curated reactions that you want to train your one-step model on, you just have to make sure to first exclude reactions that are also in the reference routes. Because many of the existing one-step models were trained on reactions included in the reference route, we acknowledge that many of those models need to be re-trained in order to fully exploit PaRoutes.