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Greatest papers with code

Learning Multimodal Graph-to-Graph Translation for Molecular Optimization

3 Dec 2018wengong-jin/iclr19-graph2graph

We evaluate our model on multiple molecular optimization tasks and show that our model outperforms previous state-of-the-art baselines.

GRAPH-TO-GRAPH TRANSLATION

Hierarchical Graph-to-Graph Translation for Molecules

11 Jun 2019wengong-jin/hgraph2graph

The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties.

DRUG DISCOVERY GRAPH-TO-GRAPH TRANSLATION