Community Extensions   RDKit


Topic Replies Created
RDKIT molecule substructure filter - ignores chirality 1 May 23, 2019
knime crashes when displaying output of RDKit converter 7 March 15, 2019
RDKit 3.4.0 and Knime 3.6.2 crush 12 November 20, 2018
Parallelize RDKit Molecule Fragmenter 1 April 19, 2019
Python 1=>2 node display error for molecules 4 April 12, 2019
Canonical SMILES string differences between Knime 3.5.1 and 3.7.1 2 March 28, 2019
Error when running in batch mode 4 March 23, 2019
Trouble distinguishing cis vs trans olefins with RDKit Substructure Counter node 1 March 18, 2019
Get name of the Salt in a molecule 5 July 9, 2018
Issues with RDKit Substructure Search 2 February 28, 2019
Extract bitvector from Rdkit Fingerprint node 4 February 15, 2019
Compound sanitization different between Knime Node and RDKit in Python 7 November 28, 2018
Comparing screening libraries 4 January 1, 2019
converting scaffold with R-groups to smiles 4 December 6, 2018
RDKit Molecule Substructure Filter incorrectly matches aromatic sulfur atoms molecule as metal-containing compounds 4 December 17, 2018
RDKit Two Component reaction indexes 6 October 3, 2018
New Release of the RDKit nodes 2 August 16, 2018
Error while selcting RDkit node 3 July 22, 2018
Error message in 2D depiction 3 July 18, 2018
RDKit Descriptor Calculator 2 July 11, 2018
Stereochemistry - Stereo Configurations and Geometry 11 June 25, 2018
RDKit add conformers 5 June 12, 2018
RDKIT nodes 2 June 26, 2018
Knime crashes when viewing RDKit output 2 May 18, 2018
Issue with RDKit in Python nodes 12 April 23, 2018
RDKit + Simple Streaming 2 April 9, 2018
RDKIT error with aromaticity 4 April 4, 2018
RDKit Molecule handling and InChI 3 March 22, 2018
RDKit calculate charge node 3 February 19, 2018
RDKit Structure Normalizer node: is the full list of normalization tags description available? 3 January 31, 2018