|
RDKit Add Conformers node changes the chirality of some stereocenters.
|
|
3
|
53
|
November 27, 2023
|
|
RDKit Descriptor meanings
|
|
2
|
187
|
October 24, 2023
|
|
FYI: Problems with the RDKit extensions on linux and KNIME 5.1.0
|
|
5
|
471
|
September 29, 2023
|
|
cannot install RDKit, vernalis, and other community nodes
|
|
9
|
284
|
September 20, 2023
|
|
Append to SDF
|
|
2
|
213
|
November 13, 2023
|
|
knime crashes after a custom python script return a rdkit mol object
|
|
1
|
188
|
October 29, 2023
|
|
Is it possible to render a SMARTS column with the RDKit 2D depiction renderer?
|
|
3
|
294
|
September 25, 2023
|
|
Announcing the interoperability between RDKit and Python in KNIME 4.7
|
|
11
|
980
|
June 14, 2023
|
|
Speed of transfering RDKit molecules into Python nodes
|
|
5
|
442
|
May 3, 2023
|
|
Add more descriptors to RDKit Descriptor Calculation node
|
|
2
|
556
|
April 19, 2023
|
|
Announcing v4.6 of the RDKit nodes for KNIME
|
|
2
|
657
|
March 20, 2023
|
|
Knime 4.5.0 & RDKit v4.6.1
|
|
3
|
532
|
December 12, 2022
|
|
One component or transformation from boron to Iodine or other
|
|
7
|
561
|
December 13, 2022
|
|
RDKit renderer fails to render cis/trans double bonds when they are in SMILES format
|
|
1
|
375
|
February 27, 2023
|
|
Problems with RDkit Add Conformers and Optimise Geometry
|
|
3
|
529
|
April 21, 2023
|
|
RDKit One component reaction with rxn reaction
|
|
3
|
445
|
November 13, 2022
|
|
BRICS node in knime?
|
|
4
|
527
|
October 23, 2022
|
|
Processing large molfile with RDKit Descriptor Calculator crashes KNIME
|
|
3
|
484
|
May 24, 2022
|
|
RDKit Salt Stripper/ Add Hs/Coords Generator Nodes Info Request
|
|
3
|
402
|
July 28, 2022
|
|
Feature request: 'de/select all' in RDKit Functional Group Filter node
|
|
4
|
496
|
April 21, 2023
|
|
Announcing v4.5 of the RDKit nodes for KNIME
|
|
3
|
701
|
April 21, 2023
|
|
Adding explicit hydrogens, except on heteroatoms
|
|
2
|
473
|
April 21, 2023
|
|
Attaching Fragments into two R-groups (R1 and R2) to get all the combinations?
|
|
4
|
595
|
April 21, 2023
|
|
Filtering building blocks containing alkyl bromines and attach with R-group in core structure
|
|
20
|
906
|
January 14, 2022
|
|
RDKit Molecule Substructure filter fails to find any matches
|
|
3
|
463
|
December 22, 2021
|
|
RDKit Library not loaded: @rpath/libz.1.dylib
|
|
3
|
686
|
April 21, 2023
|
|
Diversity Picker
|
|
14
|
1315
|
April 21, 2023
|
|
R-Group Decomposition not removing At-H fragments
|
|
5
|
590
|
April 21, 2023
|
|
How to remove bridged molecules from a large set?
|
|
3
|
857
|
April 21, 2023
|
|
Invalid pointer with RDKit From Molecule
|
|
3
|
606
|
May 27, 2021
|