model_cards/description.md

AdvancedManufacturing is a sequence-based molecular generator tuned to generate catalysts for the Suzuki cross-coupling. The model relies on a Variational Autoencoder with a binding-energy predictor trained on the latent space. The framework uses Gaussian Processes for generating targeted molecules. The model was trained on 7054 Catalysts provided by Meyer et al..

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.