Tag: Chemistry Development Kit

  cdk 

Blog posts

• cdk2024 #3: an unexpected downstream project (16 Jun 2024)
  
• cdk2024 #2: publishing grant proposals (18 May 2024)
  
• cdk2024 #1: NWO Open Science grant for the Chemistry Development Kit (07 Apr 2024)
  
• Wikidata script for SMILES, SMARTS, and CXSMILES depiction (12 Nov 2022)
  
• Biology, ACPs, lipids, cheminformatics, and Dagstuhl (01 Aug 2022)
  
• Data, Nonotify, or Silent? (13 Jul 2011)
  
• CiteULike CiTO Use Case #1: Wordles (31 Oct 2010)
  
• Oxford... #2 (06 Aug 2010)
  
• Atom typing in the CDK (01 Jul 2007)
  
• QSAR plugin for Bioclipse getting in shape (27 Jun 2007)
  
• Janocchio: Jmol and CDK based 1H coupling constant prediction (10 Jun 2007)
  
• Weka Decision Trees to Java Conversion (30 May 2007)
  
• CDK 1.0: a milestone after 7 year of development (23 Apr 2007)
  
• Pimp my JavaDoc (19 Feb 2007)
  
• CDK Workshop - Days #3 and #4 (03 Feb 2007)
  
• CDK Workshop - Day #2 (30 Jan 2007)
  
• OSMB2007 Day #1: venture capital, scientific blogger and Kepler (24 Jan 2007)
  
• CDK Literature #1 (14 Jan 2007)
  
• Modern chemistry in the CDK: beyond the two-atom bond (30 Dec 2006)
  
• Counting constitutional isomers from the molecular formula (17 Dec 2006)
  
• Code coverage: making sure your code is tested (28 Nov 2006)
  
• German Conference on Chemoinformatics 2006: Day 1 and 2 (13 Nov 2006)
  
• When is open source chemoinformatics successful? (07 Nov 2006)
  
• CompLife'06 - Day 1 (28 Sep 2006)
  
• CDK Bug Squash Party - Day 5 (24 Sep 2006)
  
• CDK Bug Squash Party - Day 3 and 4 (22 Sep 2006)
  
• CDK Bug Squash Party - Day 2 (20 Sep 2006)
  
• CDK Bug Squash Party - Day 1 (18 Sep 2006)
  
• Chemo::Blogs #1 (15 Sep 2006)
  
• Complex PDB documents using the Bioclipse ChildResourceCreator (14 Sep 2006)
  
• "Jmol and the CDK add powerful chemical capabilities", says Munos in Nature Reviews Drug Discovery (13 Sep 2006)
  
• Calculating geometrical properties with the CDK (02 Sep 2006)
  
• Classpath 0.92 has been released (14 Aug 2006)
  
• new Atom(Elements.CARBON); (06 Aug 2006)
  
• BlueObelisk components in Japanese (03 Aug 2006)
  
• CDK and the Java 6 beta (01 Aug 2006)
  
• Matrix support in Bioclipse (11 Jul 2006)
  
• A chemistry extension for spreadsheet(s) (12 Jun 2006)
  
• Recent Developments of the Chemistry Development Kit (05 Jun 2006)
  
• Blue Obelisk in Obernai at Chemoinformatics in Europe (28 May 2006)
  
• Nightly CDK builds now available (01 May 2006)
  
• Protein support in Bioclipse using Jmol and the CDK (23 Apr 2006)
  
• Download statistics for chemblaics components (23 Apr 2006)
  
• The CDK data classes and change notifications (12 Apr 2006)
  
• InChI's in LaTex and CDK News (31 Mar 2006)
  
• BlueObelisk: OpenSource, OpenData and OpenStandards (22 Feb 2006)
  
• Chemical reactions in CML (17 Feb 2006)
  
• An test suite for free, open source JVMs (06 Feb 2006)
  
• Trouble running the CDK JUnit tests with Cacao and Kaffe (22 Jan 2006)
  
• Free at last! (19 Jan 2006)
  
• Open Source Java tool chain: CDK compiles and JUnit tests run (06 Jan 2006)
  
• StatCVS on CDK (18 Dec 2005)
  
• CDK Debug classes and fixing the ModelBuilder3D bug (16 Dec 2005)
  
• Jumbo 5.0 and the CDK (10 Dec 2005)
  
• Jumbo 5.0 and CML support in CDK (08 Dec 2005)
  
• UML diagram of CDK module dependencies (06 Dec 2005)
  
• About JChemPaint's future and todays 2.1.5 release (03 Dec 2005)
  
• Bioclipse: the chemo-/bioinformatics workbench (21 Nov 2005)
  
• R/CDK install fails on GCC 4.0 systems (02 Nov 2005)
  
• CDK News (30 Oct 2005)
  
• More cdk.interfaces updates (25 Oct 2005)
  
• Wrapping up... (23 Oct 2005)
  
• CDK News 2.3 and InChI's (20 Oct 2005)
  
• CDK-Taverna fully recognized (18 Oct 2005)
  
• Single PDFs for CDK News articles (15 Oct 2005)