GitHub repository: Bibyutatsu/FastJTNNpy3
Primary language: Jupyter Notebook
Created: 2020-02-20T08:58:48Z
Description: AI for discovering 100% valid drug like molecules, a combination of VAE-JTNN and bayesian optimization, an optimized Python 3 Version of Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)