Matt Thompson
@mwt_dev
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Senior RSE @openforcefield / @openmsf views my own
Joined February 2020
RT @ColeGroupNCL: If you were unable to join the @openforcefield workshop at the @ccpbiosim training week, you can find all the material wi….
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Needed to remove and re-install my mambaforge distribution, which I think is the cause of several million files being in my trash. (We passed 2,500,000 over the course of writing these two sentences.)
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Two of my peers/mentors in grad school (hey Christoph, hey Tim) sat me down within my first week in the lab and said "learn this," something I am forever grateful for.
In memory of Bram Moolenaar: how did you get into Vim? For me it started gradually via gvim. I used it casually until I copied the .vimrc from @amix3k. That “madman” remapped the arrow keys which for the first time made me realize people actually use ghjk. I became a convert.
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And I mean "I've released" in a pretty literal sense - the actual work of getting these fixes in, in addition to the first 99.9% of the project, was other people.
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I've released MDTraj 1.9.8, which should support Python 3.11 and Apple Silicon. Any deployment/installation/etc issues, please report here:
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Now to mull over the switch to `osx-arm64` for everything.
Happy to announce @ambermdprog Ambertools 23 now has an osx-arm64 build on @condaforge 🚀. Now you can install ambertools without having to use Rosetta 2 emulation 🎉. Big thanks to @mwt_dev @jaime_rgp @ghutchis @hainm_comp @isuru_f for all of their help! 🙌. A few details 🧵.
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RT @ColeGroupNCL: #shef2023 nice example of @openforcefield facilitating testing of new force field hypotheses. Lehner et al preprint is he….
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I aim to keep this tag regularly updated, highlighting some of the things I'm a little confused on but I'm sure somebody out there is familiar with, but also relatively low in number in order to be more accessible.
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Lately while working on Interchange with @openforcefield I'm running into a few interoperability issues I could use some help with from the community. (We've improved Amber support considerably lately, although a couple of details a still thorny.).
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"high-energy breakfast concoction" is a great rebrand of the monstrous peanut butter + nutella waffles I had in college.
Since it's Oppenheimer's birthday, let's celebrate it by eating "black and tan", a high-energy breakfast concoction whipped up by him when he was a student at Harvard that would keep him going all day long. Toast + thick layer of peanut butter + thick layer chocolate sauce.
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RT @openforcefield: We're hiring! We're seeking a person working at the interface of quantum chemistry and molecular mechanics, at the post….
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this must have been a big day in our code being scraped (today is, in fact, not May 18, 2021)
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sure. why not? maybe next week we can have caterpillars handle Coulombic interactions
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RT @openmsf: We are looking for a community manager to help us build efficient information flows for #opensource projects in molecular scie….
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RT @Hyphen_Nate: @juiceboxheroic Yeah, that's very normal. They say the best way to get into woodworking is:. Step 1 - Learn to code.Step 2….
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RT @shanselman: someone defended firing 88% of the staff in a message that said "it's just DevOps." Oh, you sweet summer child.
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RT @openmsf: We are very pleased to say that OMSF also received a grant from @cziscience in this round to support our community building ef….
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RT @davidlmobley: New work, long awaited; happy to have been a part of this and we hope people find the tool broadly useful! #compchem.
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