Noel O'Blog

Yesterday, Andrew Dalke gave me a sneak preview of his EuroQSAR poster entitled "Python for Computational Chemistry". I see that i...

So I disappear for a month and when I come back everyone has dropped Greasemonkey like a hot potato (mmmmm...potatoes) and adopted Ubiquity ...

I've just released a new version of cinfony. This one comes with full documentation of the API as well as a description of how the API i...

In the 3 months since publication in Chemistry Central Journal, Junguk Hur and David Wild's paper on PubChemSR has shot up the Chemist...

OpenBabel 2.2.0 came out a little while ago with a lot of new features. One of the new features is a breadth-first iterator over a molecul...

For many cheminformaticians, R is the preferred way of analysing multivariate data and developing predictive models. However, it is not so ...

The three most well-known implementations of Python are the original C implementation (CPython), one in Java (Jython), and one in .NET (Iron...