CECAM Macromolecular simulation software workshop Philip Fowler, 14th July 2015 I’m co-organiser of this slightly-different CECAM workshop in October 2015 at the Forschungszentrum Jülich, Germany. Rather than following the traditional format of 3-4 day populated by talks with the odd poster session, this is an extended workshop made up of six mini-workshops. Since it is focussed on python-based tools for biomolecular simulations, of which there are an increasing number, the first mini-workshop will be a Software Carpentry bootcamp that I will be lead instructor on (helped by David Dotson from ASU). I’m also leading the next mini-workshop on analysing biomolecular simulation data. Share this: Share on X (Opens in new window) X Share on Bluesky (Opens in new window) Bluesky Email a link to a friend (Opens in new window) Email Share on LinkedIn (Opens in new window) LinkedIn Share on Mastodon (Opens in new window) Mastodon Related computing meetings molecular dynamics software carpentry teaching
antimicrobial resistance New preprint: Predicting pyrazinamide resistance in M. tuberculosis using a graph convolutional network 29th October 202530th October 2025 In previous work we’ve used “traditional” machine-learning approaches, like XGBoost, to learn and therefore predict… Share this: Share on X (Opens in new window) X Share on Bluesky (Opens in new window) Bluesky Email a link to a friend (Opens in new window) Email Share on LinkedIn (Opens in new window) LinkedIn Share on Mastodon (Opens in new window) Mastodon Read More
antimicrobial resistance AMyGDA now available from GitHub 27th January 202027th January 2020 AMyGDA is a python module that analyses photographs of 96-well plates and, by examining each… Share this: Share on X (Opens in new window) X Share on Bluesky (Opens in new window) Bluesky Email a link to a friend (Opens in new window) Email Share on LinkedIn (Opens in new window) LinkedIn Share on Mastodon (Opens in new window) Mastodon Read More
meetings BPS15: I’m (guest) blogging.. 7th February 20155th August 2018 I was pleased to be chosen as one of the guest bloggers. for the Annual… Share this: Share on X (Opens in new window) X Share on Bluesky (Opens in new window) Bluesky Email a link to a friend (Opens in new window) Email Share on LinkedIn (Opens in new window) LinkedIn Share on Mastodon (Opens in new window) Mastodon Read More