• The validity of the generated strings, which captures how robust the model is to increasing degrees of randomness in preserving a correct syntax. The higher the validity, the better. • Rediscovery rate. De novo design models are of-ten evaluated for their capacity to reproduce existing molecules with experimentally verified biological activities . For this purpose, we used the held-out actives previously described for each target. Moreover, to 'relax' the criterion of rediscovery, we considered held-out actives with substructure similarity higher than 60% to a de novo design (as computed via Tanimoto similarity on extended connectivity fingerprints ) to compute rediscovery. Higher rediscovery rates in increased temperatures indicate that the model can explore regions related to bioactivity despite increased randomness.