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27 Open 278 Closed
27 Open 278 Closed
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Issues list

Stereo is inverted when depicting MOL without bond CFG
#1185 opened Apr 11, 2025 by ctapobep
Canonical SMILES with stereochemistry but without InChI labelling?
#1176 opened Mar 24, 2025 by JonasSchaub
4
Exhaustive fragmenter returns oversaturated fragment containers
#1119 opened Oct 20, 2024 by ToLeWeiss
4
Macrocycle hydrogen placement
#1108 opened Sep 3, 2024 by johnmay
Unstable CDK atom types
#1090 opened Jul 9, 2024 by johnmay
2
Document fingerprint requirements
#1084 opened Jun 17, 2024 by johnmay
at least some elements should have major isotopes feature request Feature Request
#1083 opened Jun 16, 2024 by egonw
@egonw
1
Stereodepiction Brecher would not approve of
#1038 opened Feb 5, 2024 by egonw
@johnmay
2
Molecule layout seems bugging out
#1035 opened Jan 29, 2024 by parit
1
Efficient algorithm to generate an isotope distribution
#1023 opened Nov 8, 2023 by ctapobep
9
IMolecularFormula remove
#1022 opened Oct 26, 2023 by lukasmur13
4
stereo information unavailable when generating SMILES from IAtomcontainer
#1013 opened Sep 10, 2023 by biotech7
@egonw @johnmay
10
Add a "loose" SMILES writer mode
#999 opened Aug 23, 2023 by johnmay
Molecule titles as Bounds
#975 opened Jun 1, 2023 by parit
3
differences in processing V2000/V3000 tag data
#971 opened Apr 21, 2023 by adalke
1
2
Kekulization / hydrogen adder problem
#969 opened Apr 14, 2023 by JonasSchaub
3
merge CML code into a single module cdk2024 feature request Feature Request
#965 opened Mar 29, 2023 by egonw
@egonw
5
Error in AtomTools with reference heteroatoms
#960 opened Mar 11, 2023 by RamiManaf
only return atoms within sphere=1 layer during generating HOSE code
#954 opened Jan 26, 2023 by biotech7
4
QueryAtomContainer.create() should have option ignore query atoms/bonds feature request Feature Request
#953 opened Jan 23, 2023 by johnmay
merge MDL V2000/V3000 readers
#952 opened Jan 18, 2023 by adalke
IO Parsing should have warning, error, and fatal feature request Feature Request
#951 opened Jan 18, 2023 by egonw
@egonw
1
Get the bundled JAR size under control
#911 opened Sep 14, 2022 by johnmay
13
ponder about using parameterized tests to use builder TBD To be determined, used for investigation explorationg
#825 opened Feb 7, 2022 by egonw
@egonw
4
CDK v3.0 Roadmap
#823 opened Feb 7, 2022 by johnmay
7 of 22 tasks
21
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