Powered by MDAnalysis

Powered by MDAnalysis We have created this nifty badge for you to display on your MDAnalysis-using projects!

By showcasing your use of MDAnalysis you are

  • helping to spread the love ❤️ and strengthening the MDAnalysis user community,
  • rewarding our open-source effort and boosting our dev team’s motivation 😊,
  • providing a non-intrusive way for us to know our user-base — increasingly relevant in raising funds for development.

The above points all lead to happier users and devs, and ultimately to a better MDAnalysis overall 💪.

So just choose from our available badge-embedding markup examples and start spreading the word today!

MDAnalysis Workshop @ PRACE / SURF

MDAnalysis will be delivering a 3 half-day remote (online) workshop hosted by PRACE / SURF on the 26-28th of May 2021.

The workshop will include both lecture and practical portions. We will cover topics including:

  • The fundamentals and basics of MDAnalysis
  • How to use existing analyses
  • How to write your own analyses
  • Parallel analysis in an HPC setting (using SURFsara supercomputing facilities)
  • Advanced functionality such as universe construction and transformations

The workshop is aimed at users in academia and industry who are already familiar with Python and molecular dynamics. We will have separate sessions at different levels, ranging from introductory to advanced use. MDAnalysis developers will be present to help you during practical portions of the sessions and to answer your questions about how to work productively with MDAnalysis. We will also be holding office hours for extended tutoring – ask us for help with the design of your own workflows!

Register soon (places limited)

The workshop is open to everyone, but places are limited. Apply early!

For more information and the registration form, please see the workshop overview website.

MDAnalysis Discord Server

We created the MDAnalysis Discord server for users and developers of MDAnalysis to talk and hang out, as an additional avenue to participate in our community.

Join us!

In order to join, use the sign-up link

By joining the MDAnalysis Discord Server you agree to our Code of Conduct.

MDAnalysis Discord

First steps

We encourage you to introduce yourself in the #introductions channel. Please include anything you’d like us to know – for example, if you have a preferred pronoun or a GitHub account!

For discussions around using MDAnalysis, go to #using-mdanalysis and for development — you guessed it — #developing-mdanalysis.