We are excited to announce the release of MDAnalysis 2.1.0! Updates include a new dielectric constant analysis module, parsing RDKit R/S chirality, improved H5MD support, Gromacs 2021 TPR support, and many more including several bug fixes mdanalysis.org/blog/#mdanalys…

MDAnalysis is hiring a #SoftwareDeveloper to help improve our teaching materials! Flexible contract: 1month FTE, $24/hour, $3,600. info + apply here: bit.ly/3Q0zfJP Deadline Sept 1st #compchem

I'm a day late for #InternationalCatDay, but here's a demonstration of cat-herding I drew as part of a cat-based explanation of WESTPA Software

MDAnalysis is working to create a sustainable ecosystem of MDAKits, packages that use MDAnalysis. We've created a whitepaper outlining our plan; read more on our blog post here: mdanalysis.org/2022/08/24/mda… We'd love to hear any feedback!

What's making this MDAnalysis cat so sad, and what are we doing to help? Come to Lily Wang's talk on MDAnalysis @mdanalysis.bsky.social toolkits (MDAKits) and you might find out! #ACSFall2022

MDAnalysis 2.3.0 is now out! Updates include; improvements to PDB reading / writing (improved CONECT record handling and formal charges), a new RDF norm keyword, improved Universe serialization, and initial work on Cythonizing core MDAnalysis objects. mdanalysis.org/blog/#mdanalys…

Hello #compchem! We want to change the license of @MDAnalysis from GPLv2+ to LGPLv3+. This means that you'll have more freedom in choosing your own license when you develop code that uses MDAnalysis. We want to get your thoughts! Details below 👇 #opensource #FOSS

Attending #BPS2023 and want to become the proud owner of a shiny new MDAnalysis @mdanalysis.bsky.social sticker or fridge magnet? Come find me (look for the blue hair 😜 ), Irfan Alibay, Lily Wang or @orbeckst !

Please come by for a chat! I'll be there during breaks throughout the day too!

What do these cats have to do with WESTPA Software, and what am I using WESTPA for in my research? Come to my poster today at #BPS2023 (B341) to hear about my work on the transport cycle of SGLT sugar transporters!

MDAnalysis will participate in #GSOC 2023! If you have some experience with #MD or other simulations at the molecular scale and if you like #coding to solve problems in #physics #chemistry #compchem #biochemistry #materialsscience is your thing: read mdanalysis.org/2023/02/22/gso…

Read about our #MDAKits approach in our SciPyConf paper "MDAKits: A Framework for FAIR-Compliant Molecular Simulation Analysis" conference.scipy.org/proceedings/sc… by Irfan Alibay Lily Wang Fiona Naughton Ian Kenney and funded by Chan Zuckerberg Initiative . Create your MDAKit at mdakits.mdanalysis.org

Any MDAnalysis @mdanalysis.bsky.social users at #BPS2024 - come find me to get your hands on some shiny MDAnalysis stickers - now featuring a small selection of cat-based stickers! Look for the pink hair, or come by my poster B374 on Tuesday and also hear about my work with sugar transporters

What are these cats saying about my work with sugar transporters? Come to poster B374 today at #bps2024 to find out 😺(and maybe take one home in sticker form - while supplies last!)