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RDKit From Molecule node can't render molecule with wedged bond

Status: Open.

#134 In rdkit/knime-rdkit;

· iwatobipen opened on Sep 24, 2023

What fingerprint settings does the RDKit Molecule Substructure Filter use?

Status: Open.

#109 In rdkit/knime-rdkit;

· TraceLD opened on Jun 16, 2022

Trying to understand the RDKit Aromatizer node and the comparison to 0 to determine success

Status: Open.

#108 In rdkit/knime-rdkit;

· TraceLD opened on Apr 26, 2022

Rendering defaults and render options

Status: Open.

#106 In rdkit/knime-rdkit;

· kienerj opened on Jan 19, 2022

RDKit 2D Depiction option missing for formats in preferred render settings

Status: Open.

#105 In rdkit/knime-rdkit;

· kienerj opened on Jan 19, 2022

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

Status: Open.

#104 In rdkit/knime-rdkit;

· ssalaniwal opened on Jan 5, 2022

Log4j Security Vulnerability

Status: Open.

#100 In rdkit/knime-rdkit;

· manuelschwarze opened on Dec 14, 2021

Provide better error messages when RDKit nodes fail completely or by row

Status: Open.

#83 In rdkit/knime-rdkit;

· manuelschwarze opened on Dec 2, 2020

Reaction nodes: support "chain reactions"

enhancement

Status: Open.

#70 In rdkit/knime-rdkit;

· greglandrum opened on Aug 5, 2019

New 3D descriptor Node

new node

Status: Open.

#63 In rdkit/knime-rdkit;

· manuelschwarze opened on May 20, 2019

Output Column Naming and Append vs replace

Status: Open.

#59 In rdkit/knime-rdkit;

· kienerj opened on Mar 21, 2019

Add MolStandardize node

new node

Status: Open.

#58 In rdkit/knime-rdkit;

· greglandrum opened on Mar 15, 2019