xiaoxiongwewe's repositories
chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:HTMLMIT000
icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
Language:PythonMIT000
rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling
Language:PythonMIT000
nips17-rexgen
Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
Language:PythonMIT000