model_cards/depr_description.md

Miscellaneous models from the GuacaMol and the Moses benchmark. For details, please see the GuacaMol paper (Brown et al., 2019, J. Chem. Inf. Model.) and the Moses paper (Polykovskiy et al., 2020, Front. Pharmacology).

NOTE: Only a subset of the features of the GuacaMol and Moses models are exposed through this UI. Most importantly, there is no support (yet) for property optimization. For details on this usage, please see the GT4SD docs.

For examples and documentation of the model parameters, please see below. Moreover, we provide a model card (Mitchell et al. (2019)) at the bottom of this page.