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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-devel
  • cdk-user: (5/10)
    cdk-user
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Thread (1495 Threads) Rating Replies Last Message Child Forum

zero Z-coordinates in MDLV2000 reader by Rajarshi Guha-3
5
by Matt Sprague

ACS conference in philadelphia - get together? by Raphael A. Bauer
1
by Rajarshi Guha-3

JUnit test failed - 2008-07-23 by Rajarshi Guha-3
0
by Rajarshi Guha-3

Fingerprint structure? by Nicholas FitzGerald
1
by Rajarshi Guha-3

descriptor summary on nightly by Rajarshi Guha-3
0
by Rajarshi Guha-3

[ cdk-Feature Requests-2025055 ] Accuracy of atomic polarizabilities by SourceForge.net
0
by SourceForge.net

invalid descriptor values for IntegerResult or IntegerArrayResult by Rajarshi Guha-3
0
by Rajarshi Guha-3

reviewed the rajarshi-descnames/ branch by Egon Willighagen-5
2
by Egon Willighagen-5

caching policy by Rajarshi Guha-3
2
by Rajarshi Guha-3

CDK Nightly Trunk Build Failed - 2008-07-21 by Rajarshi Guha-3
0
by Rajarshi Guha-3

Command Line Utils in the Library? (was: SF.net SVN: cdk:[11675] cdk/trunk/src/main/org/openscience/cdk/applications /FingerPrinter.java) by Egon Willighagen-5
1
by Rajarshi Guha-3

CDK Nightly Trunk Build Failed - 2008-07-21 by Rajarshi Guha-3
0
by Rajarshi Guha-3

CDK Nightly Trunk Build Failed - 2008-07-20 by Rajarshi Guha-3
0
by Rajarshi Guha-3

design question: conformers in IAtomContainer by Rajarshi Guha-3
2
by Rajarshi Guha-3

example of fingerprint formats by Andrew Dalke
3
by Rajarshi Guha-3

Re: [Cdk-commits] SF.net SVN: cdk:[11649] cdk/branches/rajarshi-descnames/src/test/org/ openscience/cdk/qsar/DescriptorEngineTest.java by Egon Willighagen-5
1
by Rajarshi Guha-3

QSAR patch... and single patch branches, versus multi patch branches by Egon Willighagen-5
5
by Egon Willighagen-5

JGraphT Updgrade by Matt Sprague
3
by Rajarshi Guha-3

Re: [Cdk-commits] SF.net SVN: cdk:[11612] cdk/branches/rajarshi-descnames/src/main/org/ openscience/cdk/qsar/descriptors/molecular by Egon Willighagen-5
6
by Rajarshi Guha-3

decsriptor names - a proposed refactoring by Rajarshi Guha-3
11
by Rajarshi Guha-3

normalization of chemical structures by Rajarshi Guha-3
1
by Stefan Kuhn-3

[ cdk-Feature Requests-2020244 ] Test if static String[] help performance and memory by SourceForge.net
0
by SourceForge.net

[ jchempaint-Feature Requests-1477458 ] cml export does not work by SourceForge.net
0
by SourceForge.net

questions about IPMolecularLearningDescriptor by Rajarshi Guha-3
2
by Rajarshi Guha-3

[ cdk-Patches-2019251 ] Update to Jumbo5.4 by SourceForge.net
0
by SourceForge.net

[ cdk-Project Maintainance Tasks-898131 ] Update Copyright statements in headers by SourceForge.net
0
by SourceForge.net

[ cdk-Project Maintainance Tasks-898134 ] Create a visual index of GUI items by SourceForge.net
0
by SourceForge.net

[ cdk-Project Maintainance Tasks-2005029 ] Update to Jumbo 5.4.2 by SourceForge.net
0
by SourceForge.net

Trunk updated to Jumbo 5.4 by Egon Willighagen-5
0
by Egon Willighagen-5

[ cdk-Patches-2019251 ] Update to Jumbo5.4 by SourceForge.net
0
by SourceForge.net

Re: [Cdk-commits] SF.net SVN: cdk: [11547] cdk/branches/drzz-jumbo5.4 by Egon Willighagen-5
4
by peter murray-rust

State of Builder3D? by Egon Willighagen-5
11
by Egon Willighagen-5

Trying to use Fileconvertor.java by Stratos Keranidis
1
by Rajarshi Guha-3

Hello by Matt Sprague
1
by Egon Willighagen-5

Re: drzz branch by Egon Willighagen-5
0
by Egon Willighagen-5
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