xiaoxiongwewe

Pinned Repositories

chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:HTML00
icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
Language:Python00
nips17-rexgen
Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
Language:Python00
rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling
Language:Python00

xiaoxiongwewe's Repositories

xiaoxiongwewe/chemprop
Message Passing Neural Networks for Molecule Property Prediction
Language:HTML00
xiaoxiongwewe/icml18-jtnn
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
Language:Python00
xiaoxiongwewe/nips17-rexgen
Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)
Language:Python00
xiaoxiongwewe/rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling
Language:Python00