Wengong Jin

icml18-jtnn. Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

hgraph2graph. Hierarchical Generation of Molecular Graphs using Structural Motifs

multiobj-rationale. Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)

nips17-rexgen. Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)

iclr19-graph2graph. Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)

RefineGNN. Python

abdockgen. Python

DSMBind. Jupyter Notebook

chemprop. Chemical Property Prediction with Graph Convolutional Networks

ComboNet. Python

rnadock. Python

AI_IRES. Jupyter Notebook

DomainBed. DomainBed is a suite to test domain generalization algorithms