RSE @ OMSF (biomol MD, free energy calcs, etc...), @MDAnalysis and @openfreeenergy core developer | he/him - views are my own

England, United Kingdom
Joined June 2009
@mdanalysis traveling sticker update 3: listening to @lilyminium's talk on the MDAnalysis library and the forthcoming MDAKits system!
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@mdanalysis traveling sticker update 2: attending @ExplainedByCats's talk on the transport cycle of sodium-glucose transport proteins.
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Replying to @mdanalysis
@mdanalysis #shiny sticker travelling journey: attending @orbeckst' COMP talk at s401d
Love a sticker that has travelled more than I have 馃槀
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We have a ton of @mdanalysis to give away at #ACSFall2022 - ping me a message if you want any! @ACSCOMP #opensource
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I don't want to call anyone out but if your justification for holding your in-person conference includes what amounts to "we put our 80 employees in a room for two days last month and no one got COVID"... not a great look
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Since I forgot to add it, here is a screenshot of the "response form" with the claimed university affiliation.
@uniofbeds this research claims to be affiliated with you but blocks users asking for additional information re: research ethics. Can you confirm that this is a) actually affiliated with you? b) accepted research conduct? (see attached screenshots for more info)
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TIL scipy and unidata implement different maskandscale APIs with opposite default values. Because randomly auto applying `scale_factor` is definitely not dangerous...
You think you're finally making progress, and then you get reminded about all those PRs from the summer that need reviewing...
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Any specific feedback ? :'(
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Trying to help push along a release and the legacy python support issues keep appearing. If you still use py2.7 or 3.5 please consider upgrading if you can. Soon we won't even be able to run CI on them anymore 馃樀
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