Hello,
I’ve found that processing some very large molecules (such as this one ChemIDplus and the Drug Information Portal Content Available From PubChem Only Starting December 2022. NLM Technical Bulletin. 2022 Jul–Aug) through the RDKit Descriptor Calculator node crashes KNIME with nothing in the log.
I’ve been running it on Windows 10.
Show rdkit issue.knwf (11.4 KB)
The attached workflow reproduces the issue.
I wonder if it’s possible to print an error and continue to the next record?
@ChemMitch, it seems very likely that this is caused by the same problem discussed in this issue report: Knime RDKit nodes "RDKit Canon Smiles" and "RDKit to InChI" are crashing Knime 4.4.4 · Issue #107 · rdkit/knime-rdkit · GitHub
Please give that a try and see if it resolves the problem.
-greg
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That fixed the issue for me.
Thanks @greglandrum !
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