Getting SMILES of ogbg-mol* datasets

snap-stanford / ogb

Benchmark datasets, data loaders, and evaluators for graph machine learning

https://ogb.stanford.edu

MIT License

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Getting SMILES of ogbg-mol* datasets #90

Closed tarokiritani closed 3 years ago

tarokiritani commented 3 years ago

I sometimes would like to compare GNNs, and methods that are not based on graph representation. Could you include smiles data in the ogbg-mol* datasets?

weihua916 commented 3 years ago

Hi! You can find all the smiles data in mapping/ of the downloaded directory.