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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: (1/10)
    cdk-user
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Thread (1658 Threads) Rating Replies Last Message Child Forum

Re: atom labels by Rajarshi Guha-3
0
by Rajarshi Guha-3

FUCKING MODEL BUILDER by Stefan Kuhn-3
11
by Stefan Kuhn-3

Re: merging trunk with branches, cherry-picking by Thorsten Meinl
1
by Egon Willighagen-5

1.2 branch & Java2DRenderer by Thorsten Meinl
11
by Egon Willighagen-5

[ cdk-Patches-2128802 ] Patah for Java2DRenderer by SourceForge.net
0
by SourceForge.net

example usage of Java2DRenderer by Rajarshi Guha-3
6
by Egon Willighagen-5

[ cdk-Patches-2128802 ] Patah for Java2DRenderer by SourceForge.net
0
by SourceForge.net

ant build question PDBAtom PDBWriter by Raphael A. Bauer-2
3
by Egon Willighagen-5

Symmetry Perception Test Files by Matt Sprague
1
by Rajarshi Guha-3

JUnit test failed - 2008-09-23 by Rajarshi Guha-3
0
by Rajarshi Guha-3

JUnit test failed - 2008-09-23 by Rajarshi Guha-3
0
by Rajarshi Guha-3

seemingly temporary fixes to 1.2.x by Rajarshi Guha-3
1
by Jonathan Alvarsson

Ullman subgraph isomorphism by Rajarshi Guha-3
1
by Christoph Steinbeck-...

CDK Nightly Trunk Build Failed - 2008-09-19 by Rajarshi Guha-3
1
by Miguel Rojas Cherto-...

SMILESFormat by Ola Spjuth
3
by Andrew Dalke

[ cdk-Feature Requests-1941417 ] JChemPaint background color by SourceForge.net
0
by SourceForge.net

Fingerprinter by Stefan Kuhn-3
2
by Egon Willighagen-5

More atom typing problems by Stefan Kuhn-3
1
by Egon Willighagen-5

cdk-builder3d-tools module by Stefan Kuhn-3
4
by Christoph Steinbeck-...

Fignerprinter performance by Rajarshi Guha-3
7
by Christoph Steinbeck-...

queryAdjacency(IBond a1, IBond b1, IBond a2, IBond b2) in UniversalIsomorphismTester by Stefan Kuhn-3
2
by Rajarshi Guha-3

interesting perf results by Rajarshi Guha-3
5
by Egon Willighagen-5

CDK Nightly Trunk Build Failed - 2008-09-11 by Rajarshi Guha-3
0
by Rajarshi Guha-3

JChemPaint applet by Stefan Kuhn-3
0
by Stefan Kuhn-3

MoleculeFactory.makeBenzene() is not aromatic by Stefan Kuhn-3
3
by Stefan Kuhn-3

ModelBuilder3d/aromaticity detection by Stefan Kuhn-3
3
by Christoph Steinbeck-...

why is IAtomContainerSet not an implementation of List<IAtomContainer>? by Rajarshi Guha-3
11
by Jonathan Alvarsson-2

CDK Nightly Trunk Build Failed - 2008-09-10 by Rajarshi Guha-3
0
by Rajarshi Guha-3

List of compiler warnings by Thorsten Meinl
0
by Thorsten Meinl

Re: [Cdk-commits] SF.net SVN: cdk:[12229] cdk/trunk/src/main/org/openscience/cdk/smiles/ SmilesParser.java by Egon Willighagen-5
0
by Egon Willighagen-5

[ cdk-Project Maintainance Tasks-2099783 ] Add svn:eol-style to all text files by SourceForge.net
0
by SourceForge.net

problem with loading molfile in jcp applet by Douglas O'Neal
2
by Egon Willighagen-5

[ cdk-Feature Requests-1822919 ] SMARTS: Reaction not supported by SourceForge.net
0
by SourceForge.net

[ cdk-Feature Requests-1761027 ] SMARTS: the dot operator is not supported by SourceForge.net
0
by SourceForge.net

[ cdk-Feature Requests-1579229 ] Aromaticity detection if four-ring systems by SourceForge.net
0
by SourceForge.net
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