Is there a plan to make it work with SMILES? It seems they need to be “cast” to string beforehand. Same for say sdf or molfiles.
I’m asking because I did some quick checks and I see a similar behavior to the Legacy python nodes. Having rdkit mols in the knime table makes things a lot slower compared to SMILES/SDF and then converting them to rdkit mols inside the python script.
A quick check using the descriptor calculation function from the blog shows me that passing in sdf into the python node vs rdkit molecules directly for about 3000 molecules is 32% faster. roughly 8s vs 11s.