Because more and more cheminformatics I do is with Bioclipse scripts (see doi:10.1186/1471-2105-10-397) and that Bioclipse is currently unmaintained and has become hard to install, I decided to take the plunge and rewrite some stuff so that I could run the scripts from the command line. I wrote up the first release back in April.

Today, I release Bacting 0.0.5 (doi:10.5281/zenodo.3252486) which is the first release you can download from one of the main Maven repositories.

Plan S has caused quite some discussion about what knowledge dissemination is. When it was announced, I was hesitant. But very quickly the opposition of Plan S convinced me that apparently something like Plan S is needed. I think Plan S focuses way too much on journal-channeled publishing, whereas I had rather seen it focus on Open Science (it partly does). We argued that much with cOAlition S recently (doi:10.5281/zenodo.2560200):

The risks brought forward by Plan S opponent are real.

Henry Rzepa asked us the following recently: ChemRxiv. Why? I strongly recommend reading his pondering. I agree with a number of them, particularly the point about the following. To follow the narrative of the joke: "how many article versions does it take for knowledge to disseminate?", the answer sometimes seems to be: "at least three, to make enough money of the system".

Now, I tend to believe preprints are a good thing (see also my interview in Preprintservers, doen of niet?, C2W, 2016.
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This blog deals with chemblaics in the broader sense. Chemblaics (pronounced chem-bla-ics) is the science that uses computers to solve problems in chemistry, biochemistry and related fields. The big difference between chemblaics and areas such as chem(o)?informatics, chemometrics, computational chemistry, etc, is that chemblaics only uses open source software, open data, and open standards, making experimental results reproducible and validatable. And this is a big difference!
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