Hi RDKitters,
I must have seen this in an ipython notebook but can't find it right now:
If I have a table of rdkit mols generated by the cartridge, is there a way
to retrieve them using a psycopg2 connection within python - ideally inside
a pandas dataframe?
I've got this snippet:
import pandas as pd
import psycopg2
conn = psycopg2.connect("port=5432 user=chembl dbname=chembl_17")
data = pd.read_sql(sql, conn)
...but I'm missing the step where I retrieve rdkit mol objects somehow
instead of smiles.
Many thanks in advance,
George
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