aksub99/molecular-vae

Pytorch implementation of the paper "Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules"

语言：Jupyter Notebook · GitHub 星标：71 · Fork：15

话题：cheminformatics · chemistry · deep-learning · drug-discovery · jupyter-notebook · machine-learning · materials-informatics · materials-science

在 GitHub 上查看原仓库