General Reactivity Indexed Chemistry (GRInCh) Dataset

This dataset presents a curated set of representative reactions from organic synthesis. For every reaction the optimized reactant and product structures are provided, as well as the log files to ensure transparency & reproducibility. Extensive metadata information is provided to improve general reusability and potentially use in automated workflows. The set was originally created to test double-ended methods for the description of reaction pathways representative of lab chemistry.