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29 Open 245 Closed
29 Open 245 Closed
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Issues list

feature or issue?
#1064 opened Apr 20, 2024 by egonw
@johnmay
5
Support for RInChI
#1063 opened Apr 9, 2024 by FelixBaensch
3
Support empty reactants in RXN file input
#1062 opened Apr 5, 2024 by johnmay
support for bond types >4 in MDLV3000Reader and MDLV3000Writer
#1061 opened Apr 3, 2024 by uli-f
6
pom.xml file suggestion by Maven
#1056 opened Mar 11, 2024 by egonw
cdk-2.9 Provider for javax.xml.parsers.SAXParserFactory cannot be found
#1045 opened Feb 27, 2024 by J-Siu
9
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
Bug
#1002 opened Aug 25, 2023 by johnmay
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 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
Absolute SMILES Generation fails for reactions
#959 opened Feb 12, 2023 by mrwns
3
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
Get the bundled JAR size under control
#911 opened Sep 14, 2022 by johnmay
11
Integration of ErtlFunctionalGroupsFinder and Sugar Removal Utility into CDK help requested
#854 opened Apr 11, 2022 by JonasSchaub
@egonw @johnmay @JonasSchaub
7
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