Several open-source benchmarking suites for the de novo design of small molecules have been developed in recent years. Among the most notable of these are GuacaMol 2 , Tartarus , and the Therapeutics Data Commons . GuacaMol offers lightweight tasks focused on molecule rediscovery where the fitness of a generated molecule is assessed using the Tanimoto similarity between the generated molecule and the target molecule, based on their respective extended-connectivity fingerprints. Tartarus and the Therapeutics Data Commons, conversely, present more challenging and computationally intensive benchmark tests utilising docking methods , which evaluate the theoretical affinity between a small molecule and a target protein. These benchmarking suites have been extensively employed, facilitating a fair and open comparison with other published methods for generating small molecules.