Archive for the ‘Blue Obelisk’ Category

CDK Workshop 2009 Wrap-up

The CDK workshop 2009 is over and what is left is a bad cold. But I’ll get over it. The workshop itself was phantastic – we had 40 participants with well balanced contributions from industry and academia. The first half day was dedicated to tutorials on various aspects of CDK, basic installation, our CDK and […]

CDK Workshop 2009 kick-off talk

I’m collecting some thoughts for my CDK workshop kick-off talk on Monday and I guess I’ll go for the boring regular version, with an introduction to CDK history, followed by some statistical figures and ending with an explanation of the format for the developers workshop on Tuesday afternoon. As anyone can read on our CDK […]

Cheminformatics/Metabolism PhD position at EBI

The Cheminformatics and Metabolism group at the European Bioinformatics Institute (EBI) in Hinxton, Cambridge, Uk, has an opening for a phd position. The EBI is one of four outstations of the European Molecular Biology Laboratory (EMBL) and is a great place to do research in chemistry, cheminformatics and drug discovery. In all of these areas, […]

Open Access Journal of Cheminformatics now live!

I’m delighted to announce that the first open access journal of our field, the Journal of Cheminformatics, is now live and has published its first articles.  Journal of Cheminformatics is a new open access journal from Chemistry Central publishing peer-reviewed research in all aspects of cheminformatics and molecular modelling.  It is run by Editors-in-Chief David […]

CDK Workshop at EBI on April 20/21

The CDK team is glad to announce the Spring 2009 CDK workshop held at the European Bioinformatics Institute (EBI). More than two years have passed since the last CDK workshop in Cologne and we hope to have these great events more regularly again. We are glad that the EBI Industry Program as well as the […]

Open Notebook Science/Open Drug Discovery at GDCh national meeting

For the national meeting of the German Chemical Society in Frankfurt, August 30 – September 2, 2009, I’m co-organising a symposium on Open Notebook Science and Open Drug Discovery. John Overington, Cameron Neylon and Egon Willighagen have already agreed to speak and we are looking for further interesting speakers. Being incredibly Open PuTTY SSH execute […]

Linus on GIT on Google TechTalks

I’m a big fan of Google TechTalks and watch a lot of them during flights. This week I enjoyed the recording of Linus Torvalds insulting all kinds of people including the whole SVN develoment team while introducing his distributed source code management system GIT. Egon had pointed me to GIT quite a while ago but […]

Open Access Publishing in the Chemical Sciences

I was invited to give my views on some new chemistry in European Bioinformatics at a Meeting held by the CICAG group of the Royal Society, held at Burlington House, London. Peter Murray-Rust set the scene by emphasising the importance for Open Data. He showed some fantastic work on data extraction by OSCAR from theses, […]

There is still need for an open source structure editor applet …

… with a reasonably small footprint … and we’ll soon have one that is actually usable. Well, with the JChemPaint applet, as used in NMRShiftDB, we do have an open source structure drawing applet available but we (as in “the makers”) have to admit that it still has a pretty big foot print. If you […]