Noel O'Blog

IPython is an enhanced Python shell that does magic and is wonderful. Apart from me, everyone else uses it. You can install it with "e...

Time for a new poll. I'd like to know what you think about reusing bond closure symbols in SMILES strings. Simply put, when writing SMIL...

No-one likes an unhappy document preparation system, so let's add support for SMILES to LaTeX. LaTeX has already seen a lot of love from...

Some time ago Google shut down the Share feature of Google Reader to push everyone onto Google Plus. Unfortunately, Google Plus is a bit of ...

Here are the slides of the talk I presented at Smart Surfaces 2012 last week. For background see this post . To see the animation on slide ...

I've been trying to find out how to use the CDK and/or Open Babel from Jython in Knime. Unfortunately, there's no documentation beyo...

My PhD supervisor, Han Vos , marked his retirement from Dublin City University this week with a symposium at Smart Surfaces 2012 , a confere...