Molecular Graph Generation
Leaderboards
| TREND | DATASET | BEST METHOD | PAPER TITLE | PAPER | CODE | COMPARE |
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Greatest papers with code
Graph Residual Flow for Molecular Graph Generation
Statistical generative models for molecular graphs attract attention from many researchers from the fields of bio- and chemo-informatics.
GraphNVP: An Invertible Flow Model for Generating Molecular Graphs
We propose GraphNVP, the first invertible, normalizing flow-based molecular graph generation model.
Junction Tree Variational Autoencoder for Molecular Graph Generation
ICML 2018
• wengong-jin/icml18-jtnn
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We evaluate our model on multiple tasks ranging from molecular generation to optimization.
SOTA for Molecular Graph Generation on ZINC
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation
NeurIPS 2018
• bowenliu16/rl_graph_generation
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Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research.