The Olympic Games may have come and gone, but like me, I’m sure you’re all wondering which Olympic sport your favourite drug discovery tool would compete in. Fear not, I have taken it upon myself to answer this pressing question. In this blogpost, we’ll match some of the most popular tools in our field with their Olympic counterparts. Before we begin, let me clarify that I’m using the term ‘tool’ rather loosely here; I’ve included a variety of resources. I don’t claim these to be the most popular, just the ones I thought were most sport like.

RDKit: Athletics. I’m biased, but we must start with the big one. Like track and field events at the heart of the Olympics, RDKit is at the centre of many other tools in our field. It’s versatile, essential, and it’s hard to imagine our work without it. RDKit does it all.

OpenMM: Swimming. OpenMM has been around for ages, much like swimming in the Olympics. It’s a fundamental part of what we do. While technically challenging, when executed well, it’s a thing of beauty.

AlphaFold: Skateboarding. AlphaFold is the new kid on the block – well, at least in Olympic terms. Like skateboarding, protein structure prediction tools have been around for a while, but only recently did they make it to the big leagues. There’s no denying AlphaFold’s impressive performance, but it’s still early days.

AutoDock: Gymnastics. I’m extending this to include any docking software, really. Gymnastics can be exceptionally complex and technically demanding, but there’s immense joy and relief when a routine goes well. From where I’m sitting, docking can evoke similar emotions. Both require precision, flexibility, and a touch of artistic flair.

ChemDraw: Football. There’s no question it’s a classic. Maybe one of the first sports you played, probably the first tool you used. It won’t necessarily dazzle you with star power, but it gets the job done reliably. Often taken for granted, ChemDraw, like football, is solid. It’s often forgotten but a reliably good time. 

I could go on, but i’ll stop there. If you disagree, let me know why.