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Commits on Nov 8, 2015
  1. Update ExtAtomContainerManipulator.java

    committed
    setNullHCountToZero
Commits on May 13, 2015
  1. generic

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  2. date updated

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  3. custom query atom comparator

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Commits on May 12, 2015
  1. clean code

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  2. latest cdk code added

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  3. code mapping printing

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Commits on Apr 1, 2015
  1. File name naming bug fixed

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  2. File name naming bug fixed

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Commits on Dec 25, 2014
  1. reduce max iterations

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Commits on Dec 23, 2014
  1. updated the stats

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Commits on Dec 4, 2014
  1. test cases

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Commits on Dec 3, 2014
  1. test the common fragment code

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Commits on Jul 25, 2014
  1. matcher bug fixed

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Commits on Jul 13, 2014
Commits on Jul 8, 2014
  1. IAtomContainer mol = iteratingSDFReader.next();

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                        String id = (String) mol.getProperty(CDKConstants.TITLE);
                        mol.setID(id);
Commits on May 25, 2014
  1. test cases

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  2. mols

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  3. updated test cases

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  4. fixed bug for CDKRMap

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  5. updated the code

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  6. equals bug fixed

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Commits on May 24, 2014
Commits on May 23, 2014
  1. Docs updated

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  2. Docs updated

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  3. matchers updated

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Commits on May 21, 2014
  1. updated the mcs code

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Commits on Apr 26, 2014
  1. added checks

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  2. fixed iteration to optimal

    committed
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