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Issues list

RDKit From Molecule node can't render molecule with wedged bond
#134 opened Sep 24, 2023 by iwatobipen
1
What fingerprint settings does the RDKit Molecule Substructure Filter use?
#109 opened Jun 16, 2022 by TraceLD
1
Trying to understand the RDKit Aromatizer node and the comparison to 0 to determine success
#108 opened Apr 26, 2022 by TraceLD
4
Rendering defaults and render options
#106 opened Jan 19, 2022 by kienerj
RDKit 2D Depiction option missing for formats in preferred render settings
#105 opened Jan 19, 2022 by kienerj
Pre-condition Violation Number of atom mismatch Violation occurred on line 564 in file Code\GraphMol\ROMol.cpp Failed Expression: conf->getNumAtoms() == this->getNumAtoms() RDKIT: 2017.09.1 BOOST: 1_56
#104 opened Jan 5, 2022 by ssalaniwal
2
Log4j Security Vulnerability
#100 opened Dec 14, 2021 by manuelschwarze
1
Provide better error messages when RDKit nodes fail completely or by row
#83 opened Dec 2, 2020 by manuelschwarze
1
Reaction nodes: support "chain reactions" enhancement
#70 opened Aug 5, 2019 by greglandrum
New 3D descriptor Node new node
#63 opened May 20, 2019 by manuelschwarze
Output Column Naming and Append vs replace
#59 opened Mar 21, 2019 by kienerj
@manuelschwarze
2
Add MolStandardize node new node
#58 opened Mar 15, 2019 by greglandrum
Add RDKit renderer for SMILES, MOL, and SDF cells enhancement
#57 opened Mar 15, 2019 by greglandrum
@manuelschwarze
1
Switch to using new R-Group Decomposition code enhancement
#56 opened Mar 15, 2019 by greglandrum
@manuelschwarze
4
Reaction nodes: Allow specifying which column to use to construct output row ids enhancement
#54 opened Oct 4, 2018 by greglandrum
@manuelschwarze
SMILES Canonicalization With Very Long SMILES Values Crashed KNIME
#50 opened Jul 17, 2018 by manuelschwarze
@manuelschwarze
3
Allow reaction sanitization enhancement
#49 opened Jul 17, 2018 by greglandrum
Test workflows are failing because they were created with nightly builds
#44 opened Dec 5, 2017 by sithmein
non-canonical smiles from fragmenter node bug
#32 opened Aug 14, 2017 by greglandrum
Add support for processing the new HELM cells enhancement
#10 opened Nov 25, 2016 by greglandrum
Add support for parsing PDB cells enhancement
#7 opened Oct 17, 2016 by greglandrum
@manuelschwarze
1
BRICS molecule builder node new node
#6 opened Oct 17, 2016 by greglandrum
Fingerprint bit highlighting node new node
#5 opened Oct 13, 2016 by greglandrum
@manuelschwarze
2
BRICS/RECAP decomposition node new node
#2 opened Sep 23, 2016 by greglandrum
ProTip! Adding no:label will show everything without a label.