Comments (1)
No worries. I will review the PR once it comes in.
I would like to update the RDKit binaries before we do a release; PR for that coming this week
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Related Issues (20)
- Pre-condition Violation Number of atom mismatch Violation occurred on line 564 in file Code\GraphMol\ROMol.cpp Failed Expression: conf->getNumAtoms() == this->getNumAtoms() RDKIT: 2017.09.1 BOOST: 1_56 HOT 2
- RDKit 2D Depiction option missing for formats in preferred render settings
- Rendering defaults and render options
- Knime RDKit nodes "RDKit Canon Smiles" and "RDKit to InChI" are crashing Knime 4.4.4 HOT 11
- Trying to understand the RDKit Aromatizer node and the comparison to 0 to determine success HOT 4
- What fingerprint settings does the RDKit Molecule Substructure Filter use? HOT 1
- RDKit From Molecule node can't render molecule with wedged bond HOT 1
- RDKit Rooted Fingerprints Have Wrong Results in KNIME
- Switch to using new R-Group Decomposition code HOT 4
- Add RDKit renderer for SMILES, MOL, and SDF cells HOT 1
- Add MolStandardize node
- Output Column Naming and Append vs replace HOT 2
- New 3D descriptor Node
- Support chirality in the substructure searching nodes
- Reaction nodes: support "chain reactions"
- New Node: Generating an SVG column as rendering
- fix link to RDKit book in reaction nodes
- Provide better error messages when RDKit nodes fail completely or by row HOT 1
- support enhanced stereo in the nodes which do substructure searching
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