|
CDK still supported? Molecule to cdk node fails to convert
|
|
2
|
21
|
June 5, 2025
|
|
Can't access CDK bundle in Java Snippet node
|
|
2
|
410
|
January 31, 2025
|
|
CDK Opsin Node in KNIME not working properly?
|
|
17
|
729
|
May 8, 2023
|
|
substructure node cannot deal with explicit hydrogens
|
|
3
|
620
|
October 21, 2022
|
|
smarts query node - problems with different SMARTS lists
|
|
3
|
510
|
October 20, 2022
|
|
CDK Fingerprint similarity - "all against all" - Error "Cell at index 1 is null!"
|
|
2
|
811
|
April 21, 2023
|
|
Tautomer Generator with RDKit nodes
|
|
5
|
872
|
March 8, 2022
|
|
ArrayIndexOutOfBounds when connecting 'Molecule to CDK' to 'PaDEL-Descriptor'
|
|
4
|
1056
|
April 21, 2023
|
|
Tautomer Generator "Object missing ('?')"
|
|
1
|
704
|
April 21, 2023
|
|
CDK Atom Numbering
|
|
2
|
934
|
April 21, 2023
|
|
RMSD calculation
|
|
1
|
1060
|
April 21, 2023
|
|
Stereochemistry - Canonicalized Tautomers
|
|
3
|
1034
|
April 21, 2023
|
|
List of Each meanings of CDK descriptions in KNIME-CDK Molecular Properties node
|
|
3
|
2251
|
April 21, 2023
|
|
Molecule to CDK node gives missing object with valid SMILES
|
|
3
|
1022
|
April 21, 2023
|
|
IAtomContainer now accessible in Java Snippets (trunk)
|
|
2
|
871
|
April 21, 2023
|
|
Problem with nitrile coordinates generated by Molecule to CDK node
|
|
3
|
829
|
April 21, 2023
|
|
CDK Largest Chain descriptor inconsistencies
|
|
11
|
1325
|
April 21, 2023
|
|
CDK Atom numbering
|
|
10
|
1575
|
April 21, 2023
|
|
Trunk update: Issue with Smarts Query
|
|
2
|
827
|
April 21, 2023
|
|
org.openscience.cdk.depict missing from CDK jar
|
|
9
|
991
|
April 21, 2023
|
|
CDK SMARTS Matcher update (trunk)
|
|
1
|
810
|
April 21, 2023
|
|
CDK Depiction node contribution
|
|
2
|
853
|
April 21, 2023
|
|
CDK Render handling of missing cells
|
|
2
|
920
|
April 21, 2023
|
|
CDK molecular property node: invalid properties issue
|
|
3
|
857
|
April 21, 2023
|
|
BUG: CDK property values depend on calculated property subset
|
|
19
|
1408
|
April 21, 2023
|
|
Properties lost through serialization?
|
|
3
|
825
|
April 21, 2023
|
|
Generating Bit Strings using SMARTs query node
|
|
5
|
1272
|
April 21, 2023
|
|
Buggy behavior of “Molecule to CDK” node
|
|
8
|
1172
|
April 21, 2023
|
|
CDK SMARTS fragments counter
|
|
12
|
1434
|
April 21, 2023
|
|
CDK Fingerprint Similarity - Bitstring lengths/statistics
|
|
2
|
873
|
April 21, 2023
|