Senior RSE @openforcefield / @openmsf views my own
Joined February 2020
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- Following219
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Matt Thompson retweeted
If you were unable to join the @openforcefield workshop at the @ccpbiosim training week, you can find all the material with installation instructions here: github.com/openforcefield/cc…
Enjoy! #compchem
We should be all set for the @openforcefield workshop at the @ccpbiosim training week with @mwt_dev🤞 See you in Leeds / zoom tomorrow if you're registered! 💻
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.)
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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I've released MDTraj 1.9.8, which should support Python 3.11 and Apple Silicon.
Any deployment/installation/etc issues, please report here: github.com/mdtraj/mdtraj/dis…
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 🧵
Matt Thompson retweeted
#shef2023 nice example of @openforcefield facilitating testing of new force field hypotheses. Lehner et al preprint is here: arxiv.org/abs/2305.15981
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.)
github.com/openforcefield/op…
"high-energy breakfast concoction" is a great rebrand of the monstrous peanut butter + nutella waffles I had in college
Matt Thompson retweeted
We're hiring! We're seeking a person working at the interface of quantum chemistry and molecular mechanics, at the postdoc or staff scientist level. openforcefield.org/about/car… #compchem
Matt Thompson retweeted
We are looking for a community manager to help us build efficient information flows for #opensource projects in molecular sciences, and herd cats in real and virtual spaces!🐱
Read the job description: omsf.io/about/careers/#commu…
Apply here: forms.gle/wMUu6eU82vzpnJPx9
Please RT!
We are very pleased to say that OMSF also received a grant from @cziscience in this round to support our community building efforts in #opensource #compchem area.
We will need a community manager to help us so stay tuned if you might be interested in this role! #openscience
Matt Thompson retweeted
Yeah, that's very normal. They say the best way to get into woodworking is:
Step 1 - Learn to code
Step 2 - Burn out
Step 3 - Get into woodworking
Matt Thompson retweeted
someone defended firing 88% of the staff in a message that said "it's just DevOps." Oh, you sweet summer child.
Matt Thompson retweeted
We are very pleased to say that OMSF also received a grant from @cziscience in this round to support our community building efforts in #opensource #compchem area.
We will need a community manager to help us so stay tuned if you might be interested in this role! #openscience
We’re announcing 40 new grants to some of the most widely-used scientific #OpenSource software tools that are essential to science chanzuckerberg.com/eoss/prop…
Matt Thompson retweeted
New work, long awaited; happy to have been a part of this and we hope people find the tool broadly useful! #compchem
"Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale" now available #openaccess @JCIM_JCTC!
Great job by @joshhorton93, and our first collaboration with @openforcefield!
#compchem @ChemistryNCL @SciencesNCL #ukriflf
pubs.acs.org/doi/10.1021/acs…
