MoLeR (Maziarz et al., (2022), ICLR) is a graph-based molecular generative model that can be conditioned (primed) on scaffolds. This model is provided and distributed by the GT4SD (Generative Toolkit for Scientific Discovery).
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.