A man standing in front of a volcano in Aotearoa New Zealand

My name is Jon Swain. I’m a cheminformatician and data scientist based in Tāmaki Makaurau, Aotearoa (Auckland, New Zealand). I completed my undergraduate degree at University College London, with a year abroad at the University of Toronto. I then went on to complete my PhD with Professor Chris Hunter at the University of Cambridge before moving to Aotearoa to complete a postdoc with Distinguished Professor Dame Margaret Brimble. After a brief return to the UK, working at Vernalis Research near Cambridge, I came back to Aotearoa to lead the data science team at a medical device company called Veriphi.

I now work as a Research Software Engineer at OpenADMET, part of the Open Molecular Software Foundation, where I build open infrastructure for ADMET blind challenges and tooling for rigorous, reproducible model evaluation. Alongside this I run Cambridge Cheminformatics Consulting, building RDKit-based software for drug discovery workflows.

Outside of my work in data science and cheminformatics, I spend most of my time outside, climbing, hiking, or rowing.

If you would like to discuss a project, collaborate, or ask about a post, please reach out by email or on LinkedIn.

Post text and figures on this blog are licensed under Creative Commons Attribution 4.0 International (CC BY 4.0). You are free to share and adapt them for any purpose, provided you give appropriate credit and link back to the original post.

All original code on this blog is provided under the MIT License. You are free to use, modify, and distribute it for any purpose. If you use it, a link back to the post is appreciated but not required. For code adapted from other open-source projects, please see the respective citations in the post.

This website is built with Jekyll and a customised version of the Minima theme. The source is on my GitHub.