former biophysicist turned computational scientist/scientific software engineer in the steel city
Pittsburgh, PA
Joined July 2009
- Tweets1.2K
- Following1K
- Followers455
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Joshua Adelman retweeted
Numba continues to be a quiet but powerful tool in the Python high-performance arsenal.
Numba Activity Newsletter (NaN) for August 2024 numba.discourse.group/t/numb… 🚀 we've been presenting our recent innovations at community conferences! 📽️
Joshua Adelman retweeted
We wrote a blog about our multiple environment support!
It completely redefines the use of test and production environments with solve-groups.
✨ Introducing pixi's multiple environments
#rustlang #package #management #conda #Python #SoftwareEngineering
Joshua Adelman retweeted
Want to see WE / WESTPA applied towards understanding the free-energy landscape of phase separation in lipid bilayers? Check it out:
This Post is from an account that no longer exists. Learn more
Joshua Adelman retweeted
Brossard and Corcelli just published their first paper using WESTPA! They investigated the mechanism for binding a small molecule to the minor groove of DNA.
pubs.acs.org/doi/10.1021/acs…
Joshua Adelman retweeted
Anyone know folks at/working with Google Scholar? We're having some problems with how LiveCoMS journal articles appear in Google Scholar (many articles get collapsed into a single entry) and it would help if we can talk with a human about what we can do to improve the situation.
Joshua Adelman retweeted
See the quick install page here:
github.com/westpa/westpa/wik…
See our tutorials here:
github.com/westpa/tutorials
See the paper here:
pubs.acs.org/doi/full/10.102…
2/2
Joshua Adelman retweeted
Cool new paper from @elizread! Uses weighted ensemble to simulate spatiotemperal models of Tcell signaling doi.org/10.1016/j.bpj.2022.0…
Joshua Adelman retweeted
This new paper uses cloud-computing empowered WE simulations to generate unbiased permeation pathways and permeability coefficients for a set of drug-like molecules across a membrane bilayer:
@ltchong @OpenEyeSoftware
pubs.acs.org/doi/abs/10.1021…
Joshua Adelman retweeted
Postdoc position available. Statistical mechanics modeling and statistical inference for molecular machines, multivalent systems, cell biology. Fascinating biophysics beyond MD. Email me directly.
ohsu.edu/school-of-medicine/…
Joshua Adelman retweeted
We are excited to announce that the WESTPA 2.0 paper is now published! A suite of tutorials for using the new features of WESTPA 2.0 will be coming out soon.
pubs.acs.org/doi/10.1021/acs…
Joshua Adelman retweeted
I have been working on some things lately.
You may find them interesting.
seaborn.pydata.org/nextgen
Joshua Adelman retweeted
Super proud & excited to share the full-length feature talk by our amazing #COVIDisAirborne team, opening a new frontier for all-atom multiscale simulations of respiratory aerosols!!
🍿🍿🎥🎥🍿🍿
youtu.be/ZfmmJnG7le8
feat. @KC9VGG @ltchong @AdrianMulholla1 @tfmiller3
Joshua Adelman retweeted
Want to help conda-forge but don't know where to start? Check our status page and look for the packages that errored out:
conda-forge.org/status/#vers…
Most of the time the fix it is just a simple PR away :-)
ALT Webpage screenshot showing conda-forge's status page. Link is in the tweet.
Joshua Adelman retweeted
@NatureChemistry paper showing how glycan gates open in a #SARSCoV2 spike protein! Most ambitious @WestpaSoftware app yet, accessing the seconds-timescale with 0.5M atoms. Work of @Terrasztain, Surl-Hee Ahn, Anthony Bogetti, @RommieAmaro @ltchong & others
nature.com/articles/s41557-0…
Joshua Adelman retweeted
Please RT. I and @chem_christian are jointly organizing a @BiophysicalSoc sponsored virtual networking event, on Computational Methods for Biomolecular Kinetics, on Sept 1, 2021, 8-10 am PDT. Registration is free and BPS membership not required. Link: biophysics.org/upcoming-netw… 1/4
Joshua Adelman retweeted
Today it was announced that a large new bookstore is opening at The Terminal in the Strip. We have some Thoughts.
TL;DR, White Whale got taken advantage of, and this is a cautionary tale. Buckle up! (Same text on images as on this thread)
1/15
ALT A still from YOU GOT MAIL where Kathleen and her employees stare up at the Fox Books Superstore in the process of being built out.
Joshua Adelman retweeted
Ray Donnelly (github.com/mingwandroid) has contributed massively to open source over his many years at Anaconda, and now that he's in need of hospice care, he hopes you'll join us in contributing to new hospice facilities in his name: gofund.me/323b7331
Joshua Adelman retweeted
🚨
In a new @biorxivpreprint with @McLellan_Lab @ltchong @Terrasztain @LCasalino88 @fiona_chembot @JoryGoldsmith, we show how a glycan gate (at position N343) controls the opening of the #SARSCoV2 spike protein
#GlycanGate #glycotime
biorxiv.org/content/10.1101/…
🧵:
Joshua Adelman retweeted
3⃣0⃣ yrs ago today, @haverfordedu star Seamus McElligott pulled off an unlikely double that, three decades later, still resonates in a year without D1 or @NCAADIII XC champs.
In less than 48 hrs, and 800 mi apart, he won D3 Nationals and made All-American in the D1 meet. 🧵1/6
