over the last few months we have been working on finalizing a third
paper about the CDK library. You can find the result here:
https://github.com/cdk/cdk-paper-3 (including a PDF) This paper picks
out a number of changes in the library and describes changes in the
development model, since the second CDK article from 2006. It does not
discuss all changes, and functionality not discussed in this paper can
be discussed in future articles. The paper outlines a number of new
APIs and has a few code examples.
That brings me to a second point. As you can read in the manuscript,
the paper will be associated with the next stable release of the CDK,
being version 2.0, which will replace both the previous stable 1.4
series and the current 1.5 development series.
CDK version 1.5.14 is one of the last ones in this series (*), and the
current git master branch is now using "2.0-SNAPSHOT, which will be
the version when we submit the paper. That should happen in the next
week or two (to the Journal of Cheminformatics). When the paper is
accepted, 2.0 will be released.
That gives a window of opportunity for projects to adopt the new
version. The library is generally a lot faster, and the article
features a table showing a speed up of a factor 50.
This is the time to update. Upgrade issues and questions can be
discussed on this mailing list.
One last comment, we have adopted code review in the CDK library, but
feel free to ask for code review on this mailing list. That is, if
your library uses the CDK, and you want to have other CDK users and
developers look at your code, possibly leading to code change
suggestions, please do feel free to let that know on this list.
With kind regards,
John & Egon
*) the DOI is v1.5.14 is 10.5281/zenodo.159803 and John wrote up
release notes at https://github.com/cdk/cdk/wiki/1.5.14-Release-Notes
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
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