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Can you share the code about how to convert SMILES to .pkl file for zinc dataset?

Open 1q84er opened this issue 3 years ago • 1 comments

Thank you for your work in such a meaningful job.

I tried going from zinc SMILES to .pkl file, but it is not possible since I don't know how to get the right format.Could you please provide the code about how to prepare the data?

Thanks for your time.

1q84er avatar Nov 01 '22 02:11 1q84er

https://github.com/graphdeeplearning/benchmarking-gnns/issues/56

Krecharles avatar Jul 29 '25 16:07 Krecharles