|
BRICS node in knime?
|
|
3
|
942
|
July 25, 2022
|
|
Processing large molfile with RDKit Descriptor Calculator crashes KNIME
|
|
2
|
808
|
May 17, 2022
|
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RDKit Salt Stripper/ Add Hs/Coords Generator Nodes Info Request
|
|
2
|
727
|
April 29, 2022
|
|
Feature request: 'de/select all' in RDKit Functional Group Filter node
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|
3
|
750
|
March 30, 2022
|
|
Announcing v4.5 of the RDKit nodes for KNIME
|
|
2
|
936
|
February 3, 2022
|
|
Adding explicit hydrogens, except on heteroatoms
|
|
1
|
687
|
January 25, 2022
|
|
Attaching Fragments into two R-groups (R1 and R2) to get all the combinations?
|
|
3
|
932
|
January 14, 2022
|
|
Filtering building blocks containing alkyl bromines and attach with R-group in core structure
|
|
19
|
1606
|
January 14, 2022
|
|
RDKit Molecule Substructure filter fails to find any matches
|
|
2
|
954
|
December 22, 2021
|
|
RDKit Library not loaded: @rpath/libz.1.dylib
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|
2
|
1066
|
December 22, 2021
|
|
Diversity Picker
|
|
13
|
1934
|
July 15, 2021
|
|
R-Group Decomposition not removing At-H fragments
|
|
4
|
1020
|
June 10, 2021
|
|
How to remove bridged molecules from a large set?
|
|
2
|
1195
|
June 10, 2021
|
|
Invalid pointer with RDKit From Molecule
|
|
2
|
828
|
May 27, 2021
|
|
[bug] RDkit Knime Linux crashes vs Windows non crashes
|
|
7
|
1281
|
April 23, 2021
|
|
RDKit Two Component Reaction .rxn
|
|
0
|
791
|
April 6, 2021
|
|
Geometry optimisation fails with MMFF94
|
|
1
|
1264
|
March 7, 2020
|
|
RDKit Substructure Counter doesn't return the right number of matched substructures
|
|
4
|
1224
|
March 19, 2021
|
|
Diversity Picker
|
|
5
|
935
|
March 18, 2021
|
|
Error with RDKit Structure Normalizer
|
|
0
|
720
|
March 8, 2021
|
|
rdkit installation
|
|
1
|
1459
|
March 6, 2021
|
|
Version 4.2.0 of the RDKit nodes released
|
|
0
|
916
|
March 4, 2021
|
|
RDKit not working on Windows?
|
|
4
|
796
|
March 4, 2021
|
|
Force "IUPAC to RDKit" to use newer OPSIN library?
|
|
2
|
773
|
February 25, 2021
|
|
Support for new MDL Mol format
|
|
5
|
1445
|
January 21, 2021
|
|
RDKIT error with KNIME 4.3: Could not load native RDKit library
|
|
3
|
1481
|
December 19, 2020
|
|
How to define a peptide bond within a ring, using SMARTS?
|
|
5
|
1413
|
November 28, 2020
|
|
sdf mol_file type to rdkit mol type
|
|
11
|
3059
|
November 18, 2020
|
|
Salt stripper not keeping salt fragment
|
|
2
|
612
|
November 16, 2020
|
|
RDKIT Installation KNIME 4.2.3
|
|
2
|
737
|
November 16, 2020
|