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 paper: a deep learning model that reads MICs from images of 96 well plates 26th May 20251st July 2025 Our paper describing how a convolutional neural network model can determine the minimum inhibitory concentrations… 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
GPUs GROMACS 4.6: Scaling of a very large coarse-grained system 23rd October 2013 So if I have a particular system I want to simulate, how many processing cores… 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 New publication: Predicting resistance is (not) futile 21st August 201921st August 2019 Our “First Reactions” article has been published in ACS Central Science. We discuss the paper,… 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