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wengong-jin / icml18-jtnn

Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
MIT License
509 stars 190 forks source link

Python2to3 #63

Closed maykcaldas closed 1 year ago

maykcaldas commented 1 year ago

There were some problems with changing from rdkit2018 to rdkit2022. Some smiles couldn't be kekulized on the new version. I just skipped the trees that didn't work

maykcaldas commented 1 year ago

Fingers crossed