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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.
Child Forums (3):
  • cdk-devel: (10/10)
    cdk-devel
  • cdk-user: (2/10)
    cdk-user
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Thread (1768 Threads) Rating Replies Last Message Child Forum

[ cdk-Patches-2207593 ] cleanup branch merge by SourceForge.net
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by SourceForge.net

[ cdk-Patches-2207593 ] cleanup branch merge by SourceForge.net
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by SourceForge.net

[ cdk-Patches-2207593 ] cleanup branch merge by SourceForge.net
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by SourceForge.net

[ cdk-Patches-2207593 ] cleanup branch merge by SourceForge.net
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by SourceForge.net

[ cdk-Patches-2207593 ] cleanup branch merge by SourceForge.net
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by SourceForge.net

[ cdk-Patches-2207593 ] cleanup branch merge by SourceForge.net
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by SourceForge.net

JUnit test failed - 2008-10-27 by Rajarshi Guha-3
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by Rajarshi Guha-3

[ cdk-Feature Requests-2200444 ] CDK jar files download on SourceForge by SourceForge.net
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by SourceForge.net

JUnit test failed - 2008-10-27 by Rajarshi Guha-3
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by Rajarshi Guha-3

testing mol descs for whether they consider bond order of atom by Rajarshi Guha-3
1
by Egon Willighagen-5

Re: [Cdk-commits] SF.net SVN: cdk:[12817] cdk/branches/cdk-1.2.x/src/test/org/openscience/cdk /qsar/descriptors/molecular by Egon Willighagen-5
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by Rajarshi Guha-3

shound BoundCountDescriptor consider bonds to H's? by Rajarshi Guha-3
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by Rajarshi Guha-3

Fwd: [ cdk-Bugs-1969156 ] atomtype macthing and configuring overwrites exact mass by Rajarshi Guha-3
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by Rajarshi Guha-3

CDK Nightly Trunk Build Failed - 2008-10-25 by Rajarshi Guha-3
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by Rajarshi Guha-3

Possible bug parsing smiles by Wiraj Bibile
2
by Rajarshi Guha-3

spam in the Wiki by Angel Herráez
2
by Christoph Steinbeck-...

question as to installation of taverna by yjzhang
2
by Egon Willighagen-5

new Wiki in SF by Angel Herráez
1
by Egon Willighagen-5

Please help moving the Wiki one last time by Christoph Steinbeck-...
4
by Egon Willighagen-5

JUnit test failed - 2008-10-25 by Rajarshi Guha-3
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by Rajarshi Guha-3

[ cdk-Junior Jobs-1802589 ] Spelling errors in the JavaDoc by SourceForge.net
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by SourceForge.net

Call for registration: 20 seats left for German Conference on Chemoinformatics in Goslar by Christoph Steinbeck-...
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by Christoph Steinbeck-...

Call for registration: 20 seats left for German Conference on Chemoinformatics in Goslar by Christoph Steinbeck-...
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by Christoph Steinbeck-...

JUnit test failed - 2008-10-22 by Rajarshi Guha-3
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by Rajarshi Guha-3

new Plugin for reactions by Miguel Rojas Cherto-...
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by Miguel Rojas Cherto-...

Re: [Cdk-user] breaking the 10k unit tests barrier... (or: CDK 1.2.x status report) by Egon Willighagen-5
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by Egon Willighagen-5

Re: [Cdk-commits] SF.net SVN: cdk:[12735] cdk/branches/cdk-1.2.x/src by Egon Willighagen-5
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by Rajarshi Guha-3

sources of atomic and elemental data by Rajarshi Guha-3
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by Miguel Rojas Cherto-...

Re: [Cdk-user] breaking the 10k unit tests barrier... (or: CDK 1.2.x status report) by Egon Willighagen-5
4
by Egon Willighagen-5

breaking the 10k unit tests barrier... (or: CDK 1.2.x status report) by Egon Willighagen-5
3
by Egon Willighagen-5

Benchmarks for CDK fp's - enrichment curves by Rajarshi Guha-3
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by Rajarshi Guha-3

Support for SMARTS extensions by MOE? by Egon Willighagen-5
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by Egon Willighagen-5

Test for "elements" dictionary by Miguel Rojas Cherto-...
1
by Egon Willighagen-5

JUnit test failed - 2008-10-14 by Rajarshi Guha-3
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by Rajarshi Guha-3

Please help moving the Wiki one last time by Christoph Steinbeck-...
2
by Egon Willighagen-5
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