Noel O'Blog

I'm sitting here with a bandage covering my head, as RDKit has just blown my mind. RDKit is an cheminformatics toolkit written in C++ ...

In a world exclusive, I can reveal the considered response of PRISM to the detailed arguments raised by Peter Suber , Peter Murray-Rust , S...

There has been some interest in using wikis to annotate molecules: e.g. the ChemSpider blog where Antony is interested in using a local wik...

One of my pet annoyances is searching on a journal website for an article that I know exists, but not being able to find it. Let's take ...

Over at Chemical Quantum Images , Felix has posted Python code that will read a file containing a molecular structure and calculate the mol...

Old-school dyed-in-the-wool computational chemists like to use FORTRAN and C a lot, argue about which is better, and create programs whose n...

Yes, librarians are doing it too. To begin with, my Greasemonkey userscript for adding bloggers' quotes to journal pages has just gotte...