SMILES string - Githubissues

aiqm / ANI1x_datasets

The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.

MIT License

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Open shenoynikhil opened 1 year ago

shenoynikhil commented 1 year ago

How do I access the SMILES string for any molecule?

AntonB1729 commented 1 year ago

Yes that would be very good to know