This directory contains the datafiles for the workflow reported in our preprint. The datafiles include training sets for the unconditional monodentate and bidentate models and the corresponding trained models.
The code used to train the models can be found at: JT-VAE-tmcinvdes.
The fork also contains code to do unconditional generation and directional optimization in latent space, i.e., conditional generation.
For detailed descriptions of datafiles in the subdirectories here, see DETAILS.md.