Variational Autoencoding Molecular Graphs with Denoising Diffusion Probabilistic Model. - Daiki Koge; Naoaki Ono; Shigehiko Kanaya (CoRR, 2023)

Pre-training of Molecular GNNs as Conditional Boltzmann Generator. - Daiki Koge; Naoaki Ono; Shigehiko Kanaya (CoRR, 2023)