Computational biochemist. Postdoc @ UCSF in the Grabe lab. @MDAnalysis core developer. Believes everything can be explained using cats.
Joined February 2017
- Tweets162
- Following313
- Followers679
- Likes400
Pinned Tweet
As of last week, I'm finally done with all corrections I'll ever have to make to my DPhil thesis.
Among my favourite changes was the creation and inclusion of this cat-based graphical summary. Don't let anyone say you can't represent 3+ years of research entirely using cats!
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!)
Any @mdanalysis 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
Fiona Naughton retweeted
Read about our #MDAKits approach in our @SciPyConf paper "MDAKits: A Framework for FAIR-Compliant Molecular Simulation Analysis" conference.scipy.org/proceed… by @HighSpeedMode @lilyminium @ExplainedByCats @ianmkenney and funded by @czi . Create your MDAKit at mdakits.mdanalysis.org/
ALT Schematic showing how MDAKits are part of process involving a registry, continuous integration and review, documentation, and publication.
Fiona Naughton retweeted
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/gs…
ALT Google Summer of Code 2023 with MDAnalysis.
What do these cats have to do with @WestpaSoftware, 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!
Fiona Naughton retweeted
Please come by for a chat! I'll be there during breaks throughout the day too!
Last year, @MDAnlaysis released a whitepaper outlining our proposed "MDAKits" -> github.com/MDAnalysis/MDAKit…
For those at #bps2023, hear more at @HighSpeedMode's poster(B446) on MDA today
But first, let's take a quick walk through MDAKits+the idea behind them- with some cute cats!
Last year, @MDAnlaysis released a whitepaper outlining our proposed "MDAKits" -> github.com/MDAnalysis/MDAKit…
For those at #bps2023, hear more at @HighSpeedMode's poster(B446) on MDA today
But first, let's take a quick walk through MDAKits+the idea behind them- with some cute cats!
4. The MDAKit Framework
-Creation
-Registration via PR w/ metadata file containing Kit name, code location, etc. There are some minimal best practice-requirements
-Going forward, badges will show compatibility w/ latest MDA+can be awarded for improvements like more test coverage
The cookie cutter is already available here: github.com/MDAnalysis/cookie…
The registry isn't available for external submissions yet, but can be found here mdakits.mdanalysis.org/
Attending #BPS2023 and want to become the proud owner of a shiny new @mdanalysis sticker or fridge magnet? Come find me (look for the blue hair 😜 ), @HighSpeedMode, @lilyminium or @orbeckst !
Fiona Naughton retweeted
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
Fiona Naughton retweeted
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/#mdanaly…
What's making this MDAnalysis cat so sad, and what are we doing to help? Come to @lilyminium's talk on @mdanalysis toolkits (MDAKits) and you might find out! #ACSFall2022
For those at #ACSFall2022, @lilyminium will be presenting on this later today #PHYS, room S404a @4.15. Hope to see people there!
Fiona Naughton retweeted
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/md…
We'd love to hear any feedback!
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 @WestpaSoftware
Fiona Naughton retweeted
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
Fiona Naughton retweeted
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/#mdanaly…