Hi all, 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 -- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ORCID: 0000-0001-7542-0286 ImpactStory: https://impactstory.org/u/egonwillighagen ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
