Manuel Schwarze

We have discovered that rooted fingerprints in KNIME have are different from Python and pure Java. The reason we found is that there is a bug how the atom list...

Log4j Security Vulnerability

1

The RDKit nodes plugin makes use of the OPSIN library, which has a dependency to log4j 2.14.1 in our current RDKit nodes version. It is kind of hidden, because we...

Provide better error messages when RDKit nodes fail completely or by row

1

Steve Roughley, Vernalis, has suggested the following interesting idea as it was successfully implemented already in the Vernalis nodes: In the spirit of OSS/sharing etc I thought that this latest...

SMILES Canonicalization With Very Long SMILES Values Crashed KNIME

3

A colleague encountered that KNIME crashes based on an RDKit crash that is caused by very long SMILES values when passed into the RDKit Canonicalize SMILES node. The SMILES in...