Here you can find details of past and upcoming events related to the ExTASY project.
Dates: 16-17 May 2016
Venue: EPCC, The University of Edinburgh, UK
This two-day tutorial provides an introduction to Advanced Sampling methods for Macromolecules based on the Locally Scaled Diffusion Map (LSDMap) and Complementary Coordinates (CoCo) methods. Participants will have the opportunity to learn about software tools to implement these methods, in particular the EnsembleMD toolkit, which enables coupled workflows of Molecular Dynamics simulations and analysis tools to be executed on massively parallel HPC systems.
For more information and tutorial material visit the tutorial page.
Dates: 12-25 October 2015
Venue: Forchungzentrum Julich, Germany
A two-week workshop run in collaboration with CECAM, with a focus on software tools and software development. The workshop website provides an overview and links to the material. The following aspects of ExTASY were presented: