MDAnalysis

Thank you to everyone who participated in the 2025 MDAnalysis User Group Meeting (UGM), either in-person or online! We hope you were as inspired as we were by the great talks and workshops given by all the speakers, as well as by the invaluable discussions and conversations that took place over the last few days. In order to keep offering events like this and improving on them as we go, we are now looking forward to hearing feedback about your experience. To share your thoughts, including what barriers might have prevented you from being able to attend, we would appreciate if you could please take a moment to fill out this short, anonymous survey form: https://lnkd.in/dcGrNYcw   Thanks again!

We would like to share that the MDAnalysis Code of Conduct has been updated with the project’s adoption of the NumFOCUS Code of Conduct. This change reflects our commitment to ensuring our community remains welcoming, respectful, and inclusive through an impartial and transparent process. Read the full announcement here: 👉https://lnkd.in/dBjyxyeT The updated Code of Conduct applies to all MDAnalysis spaces, including GitHub, Discord, social media channels, events, and all other MDAnalysis-related forums. All MDAnalysis Core Developers have unanimously endorsed this change, and we thank the entire community for helping us uphold these shared values.

We just released a new v2.10 release of MDAnalysis with Python 3.14 support. See here for some brief release highlights: https://lnkd.in/eVBFmUKJ A more detailed blog post will follow soon.

🎤 We are thrilled to announce Lillian Chong (University of Pittsburgh) and Matthias Heyden (Arizona State University) as keynote speakers for the #mdaUGM2025! Dr. Lillian Chong develops advanced simulation methods to explore rare but biologically significant events. Her group leads the development of #WESTPA, an open-source software for weighted ensemble path sampling. She also works on implicitly polarized force fields and the rational design of protein conformational switches. In her keynote, Prof. Chong will highlight how weighted ensemble (#WE) methods and machine learning (#ML) can work together to uncover hidden functional states and simulate rare protein transitions with rigorous kinetics. Dr. Matthias Heyden investigates the dynamics and function of biomolecules using molecular and Monte Carlo simulations. His research delves into anharmonic low-frequency vibrations, which play a critical role in molecular behavior but are often overlooked in harmonic models. His talk will explore how sub-picosecond fluctuations, often ignored due to data storage limits, can hold key insights into conformational transitions and thermodynamics — and how data #streaming via #MDAnalysis can unlock this hidden information. Join us to hear how these leading researchers are advancing our understanding of molecular function through novel simulation and analysis strategies. 👥 Event: MDAnalysis UGM 2025 📅 Dates: Nov 9–11, 2025 📍 Location: Arizona State University 🔗 More details: https://lnkd.in/dNyHCjS7 #MolecularDynamics #ComputationalBiophysics #ScientificSoftware #OpenScience #Biophysics

🗞️ Great news! The abstract and travel bursary application deadline for #mdaUGM2025 (Nov 9–11, Arizona State University) has been extended, and registrations will now be considered on a rolling basis. For more details and the link to the registration form, read more on the #MDAnalysis blog: https://lnkd.in/dNyHCjS7. #MolecularDynamics #ComputationalBiophysics #OpenSourceSoftware #Molecular #Simulations #Conference #UGM #TravelGrants

🚨 Deadline approaching! 🚨 The deadline to submit abstracts and apply for travel bursaries to attend the #mdaUGM2025 is Tuesday, July 15! 🎯 Don't miss your chance to present your work, connect with fellow researchers, and engage with the #MDAnalysis community in person. Whether you're a student, early-career researcher, or seasoned scientist working with #molecular #dynamics #simulation data, this is a great opportunity to share your insights and learn from others. Check out the event details and apply here 👉 https://lnkd.in/dmuTjxhw Let your colleagues know, and see you at the UGM! #MolecularDynamics #Open_Source_Software #Streaming #Conference #Workshops #Tutorials #CallForAbstracts

We are happy to announce that #mdaUGM2025 is officially happening! Abstracts and travel bursary applications are being accepted now until the July 15, 2025 deadline: https://lnkd.in/d92mGY3B. 🗓️ November 9-11, 2025 📍 Tempe, Arizona, USA (and online) In addition to discussions on scientific applications of MDAnalysis and using and developing #open_source_software and #molecular #simulation #analysis #tools, this year's UGM will also highlight ongoing work to enable #streaming simulations!

Do you like coding in #Python? Have you been using #MonteCarlo methods or running #MolecularDynamics simulations? Are you new to open source? Working with MDAnalysis and WESTPA on a Google Summer of Code (GSoC) 2025 project may be just the thing for you! For details and to learn how to get started, read our blog post: https://lnkd.in/dTUEBWRD. But don't wait - the pre-proposal deadline (Mar 21) is fast approaching!

Friendly reminder that this is the last week to submit your pre-proposals if you are interested in working with MDAnalysis in the GSoC (Google Summer of Code) 2025 program (**Deadline: March 21st**). Read our GSoC blog post for full details: https://lnkd.in/dTUEBWRD.