[Rdkit-discuss] molecules returned as smiles instead of Mol objects in postgresql cartridge

[Jose Manuel Gally]

Hello everyone,




To test how things work, I followed this tutorial:

https://www.rdkit.org/docs/Cartridge.html



Is this the expected behavior?



Thanks in advance for any hindsight on how to do this!

Best regards,
Jose Manuel Gally

[1] rdkit/rdkitpostgresql: 2018.09.1.0, postgresql:10.5, psycopg2: 2.7.5

I'm currently trying out the postgresql cartridge in my conda environment [1]. Everything went smoothly (see notebook attached), but I am surprised that queries return molecules not as Mol objects but as str (smiles). If so, how could I do to retrieve molecules as Mol objects instead of smiles?

postgresql_queries_not_mol_as_expected.ipynb
Description: application/ipynb

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