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The Chemistry Development Kit

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The Chemistry Development Kit (CDK) is a Java library for bio- and chemoInformatics and computational chemistry. It is the basis of other projects like JChemPaint, Jmol, SENECA and NMRShiftDB. The Chemistry Development Kit home is here.
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    cdk-user
  • cdk-devel: (6/10)
    cdk-devel
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Thread (2633 Threads) Rating Replies Last Message Child Forum

Wrong atom types assignements by Aziz Yasri-2
1
by Egon Willighagen-5

SMARTS question by Mark Rijnbeek
1
by Rajarshi Guha-4

Aromatization & SDF bond type by Vincent Le Guilloux
7
by Rajarshi Guha-4

[ cdk-Patches-2816660 ] ILoggingTool patch to make log4j optional by SourceForge.net
0
by SourceForge.net

[ cdk-Feature Requests-2891477 ] Copy/Paste between two windows of application by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2891470 ] Improved internationalization of JChemPaint by SourceForge.net
0
by SourceForge.net

Re: SMSD Sync with CDK by Egon Willighagen-5
13
by Egon Willighagen-5

Re: patches by Egon Willighagen-5
0
by Egon Willighagen-5

[ cdk-Feature Requests-2890711 ] Make help files translatable by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2816660 ] ILoggingTool patch to make log4j optional by SourceForge.net
0
by SourceForge.net

[ cdk-Feature Requests-2890567 ] More tabs in Options dialog by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2816660 ] ILoggingTool patch to make log4j optional by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2832870 ] patch with unit tests for PubChem XML bugs + partial fix by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2832870 ] patch with unit tests for PubChem XML bugs + partial fix by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2832870 ] patch with unit tests for PubChem XML bugs + partial fix by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2856916 ] Patch to read E/Z stereo info from MDL V2000 molfiles by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2856916 ] Patch to read E/Z stereo info from MDL V2000 molfiles by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2856916 ] Patch to read E/Z stereo info from MDL V2000 molfiles by SourceForge.net
0
by SourceForge.net

Patches for fix change event propagation by Egon Willighagen-5
13
by Rajarshi Guha-4

[ cdk-Feature Requests-2890304 ] Draw braces by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2823365 ] Patch synchronizing the QSAR ontology with the SF project by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2805271 ] MDLWriter IO option to force writing 2D coordinates by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2823365 ] Patch synchronizing the QSAR ontology with the SF project by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2823365 ] Patch synchronizing the QSAR ontology with the SF project by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2855925 ] Patch to solve bug #2855850: setStereo(IBond.Stereo) by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2877961 ] Extraction of common unit tests for IFingerprinter by SourceForge.net
0
by SourceForge.net

[ cdk-Feature Requests-2890274 ] Arrow (coordination) bonds by SourceForge.net
0
by SourceForge.net

reviews needed for patches... by Egon Willighagen-5
0
by Egon Willighagen-5

[ cdk-Feature Requests-2890267 ] Changeable bond lengths by SourceForge.net
0
by SourceForge.net

Mannhold LogP descriptor by Egon Willighagen-5
5
by Rajarshi Guha-4

Descriptors must return NaN when failing (was: PetitjeanShapeIndexDescriptor and no 3d) by Egon Willighagen-5
0
by Egon Willighagen-5

[ cdk-Patches-2887276 ] valence reading optional by SourceForge.net
0
by SourceForge.net

[ cdk-Patches-2887276 ] valence reading optional by SourceForge.net
0
by SourceForge.net

PetitjeanShapeIndexDescriptor and no 3d by Stefan Kuhn-3
4
by Egon Willighagen-5

[ cdk-Feature Requests-2881246 ] Customization of GUI: File operation buttons in panel by SourceForge.net
0
by SourceForge.net
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