|
One component or transformation from boron to Iodine or other
|
|
3
|
38
|
December 6, 2022
|
|
RDKit renderer fails to render cis/trans double bonds when they are in SMILES format
|
|
0
|
31
|
November 29, 2022
|
|
Problems with RDkit Add Conformers and Optimise Geometry
|
|
2
|
70
|
November 5, 2022
|
|
RDKit One component reaction with rxn reaction
|
|
3
|
124
|
November 13, 2022
|
|
BRICS node in knime?
|
|
4
|
138
|
October 23, 2022
|
|
Processing large molfile with RDKit Descriptor Calculator crashes KNIME
|
|
3
|
108
|
May 24, 2022
|
|
RDKit Salt Stripper/ Add Hs/Coords Generator Nodes Info Request
|
|
3
|
112
|
July 28, 2022
|
|
Feature request: 'de/select all' in RDKit Functional Group Filter node
|
|
3
|
179
|
March 30, 2022
|
|
Announcing v4.5 of the RDKit nodes for KNIME
|
|
2
|
374
|
February 3, 2022
|
|
Adding explicit hydrogens, except on heteroatoms
|
|
1
|
212
|
January 25, 2022
|
|
Attaching Fragments into two R-groups (R1 and R2) to get all the combinations?
|
|
3
|
303
|
January 14, 2022
|
|
Filtering building blocks containing alkyl bromines and attach with R-group in core structure
|
|
20
|
511
|
January 14, 2022
|
|
RDKit Molecule Substructure filter fails to find any matches
|
|
3
|
174
|
December 22, 2021
|
|
RDKit Library not loaded: @rpath/libz.1.dylib
|
|
2
|
331
|
December 22, 2021
|
|
Diversity Picker
|
|
13
|
769
|
July 15, 2021
|
|
R-Group Decomposition not removing At-H fragments
|
|
4
|
226
|
June 10, 2021
|
|
How to remove bridged molecules from a large set?
|
|
2
|
468
|
June 10, 2021
|
|
Invalid pointer with RDKit From Molecule
|
|
3
|
318
|
May 27, 2021
|
|
[bug] RDkit Knime Linux crashes vs Windows non crashes
|
|
7
|
588
|
April 23, 2021
|
|
RDKit Two Component Reaction .rxn
|
|
1
|
269
|
October 6, 2021
|
|
Geometry optimisation fails with MMFF94
|
|
2
|
547
|
March 7, 2020
|
|
RDKit Substructure Counter doesn't return the right number of matched substructures
|
|
4
|
569
|
March 19, 2021
|
|
Diversity Picker
|
|
5
|
375
|
March 18, 2021
|
|
Error with RDKit Structure Normalizer
|
|
1
|
320
|
September 7, 2021
|
|
rdkit installation
|
|
1
|
694
|
March 6, 2021
|
|
Version 4.2.0 of the RDKit nodes released
|
|
0
|
371
|
March 4, 2021
|
|
RDKit not working on Windows?
|
|
4
|
424
|
March 4, 2021
|
|
Force "IUPAC to RDKit" to use newer OPSIN library?
|
|
3
|
326
|
March 4, 2021
|
|
Support for new MDL Mol format
|
|
5
|
773
|
January 21, 2021
|
|
RDKIT error with KNIME 4.3: Could not load native RDKit library
|
|
4
|
759
|
December 26, 2020
|
