mol encoder with Pytorch

Variable Auto Encoder (VAE) is unique method that is used for learning latent representations. VAE encodes discriminative vector to continuous vector in latent space. There are lots of examples in github. In 2016, Alán Aspuru-Guzik reported new de novo design method by using VAE. The approach represents molecules as SMLIES and SMILES strings are convertedContinue reading “mol encoder with Pytorch”