Popular repositories Loading

1. icml18-jtnn icml18-jtnn Public

   Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

   Python 514 189

2. hgraph2graph hgraph2graph Public

   Hierarchical Generation of Molecular Graphs using Structural Motifs

   Python 379 110

3. iclr19-graph2graph iclr19-graph2graph Public

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

   Python 148 40

4. nips17-rexgen nips17-rexgen Public

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

   Python 145 45

5. multiobj-rationale multiobj-rationale Public

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

   Python 141 41

6. RefineGNN RefineGNN Public

   Python 126 23