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