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Speed of transfering RDKit molecules into Python nodes
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4
|
39
|
February 2, 2023
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Announcing the interoperability between RDKit and Python in KNIME 4.7
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7
|
184
|
January 31, 2023
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Add more descriptors to RDKit Descriptor Calculation node
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1
|
263
|
January 19, 2023
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Announcing v4.6 of the RDKit nodes for KNIME
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1
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201
|
December 20, 2022
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Knime 4.5.0 & RDKit v4.6.1
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3
|
157
|
December 12, 2022
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One component or transformation from boron to Iodine or other
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7
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166
|
December 13, 2022
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RDKit renderer fails to render cis/trans double bonds when they are in SMILES format
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0
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123
|
November 29, 2022
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Problems with RDkit Add Conformers and Optimise Geometry
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2
|
166
|
November 5, 2022
|
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RDKit One component reaction with rxn reaction
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3
|
202
|
November 13, 2022
|
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BRICS node in knime?
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4
|
215
|
October 23, 2022
|
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Processing large molfile with RDKit Descriptor Calculator crashes KNIME
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3
|
193
|
May 24, 2022
|
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RDKit Salt Stripper/ Add Hs/Coords Generator Nodes Info Request
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3
|
189
|
July 28, 2022
|
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Feature request: 'de/select all' in RDKit Functional Group Filter node
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3
|
253
|
March 30, 2022
|
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Announcing v4.5 of the RDKit nodes for KNIME
|
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2
|
455
|
February 3, 2022
|
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Adding explicit hydrogens, except on heteroatoms
|
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1
|
283
|
January 25, 2022
|
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Attaching Fragments into two R-groups (R1 and R2) to get all the combinations?
|
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3
|
406
|
January 14, 2022
|
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Filtering building blocks containing alkyl bromines and attach with R-group in core structure
|
|
20
|
596
|
January 14, 2022
|
|
RDKit Molecule Substructure filter fails to find any matches
|
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3
|
246
|
December 22, 2021
|
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RDKit Library not loaded: @rpath/libz.1.dylib
|
|
2
|
411
|
December 22, 2021
|
|
Diversity Picker
|
|
13
|
865
|
July 15, 2021
|
|
R-Group Decomposition not removing At-H fragments
|
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4
|
321
|
June 10, 2021
|
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How to remove bridged molecules from a large set?
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2
|
574
|
June 10, 2021
|
|
Invalid pointer with RDKit From Molecule
|
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3
|
396
|
May 27, 2021
|
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[bug] RDkit Knime Linux crashes vs Windows non crashes
|
|
7
|
663
|
April 23, 2021
|
|
RDKit Two Component Reaction .rxn
|
|
1
|
360
|
October 6, 2021
|
|
Geometry optimisation fails with MMFF94
|
|
2
|
630
|
March 7, 2020
|
|
RDKit Substructure Counter doesn't return the right number of matched substructures
|
|
4
|
672
|
March 19, 2021
|
|
Diversity Picker
|
|
5
|
462
|
March 18, 2021
|
|
Error with RDKit Structure Normalizer
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|
1
|
408
|
September 7, 2021
|
|
rdkit installation
|
|
1
|
782
|
March 6, 2021
|