David Swenson retweeted
At #ACSChicago? Check out @davidswenson talking about the latest on OPS in S404a at 4:40pm today! #ACSFall2022
Well, this is the most morbid test code I've ever written (#GitHub API integration test).
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David Swenson retweeted
In part 2 of our 3-part tutorial about our new storage system and our CLI, @davidswenson shows you how to use the OPS command line interface to get from a single snapshot to running RETIS simulations. Check it out! youtube.com/watch?v=VGN-NfuZ…
David Swenson retweeted
Check out part 1 of a 3-part tutorial about our new storage (SimStore) and our CLI. In this one, @davidswenson tells you how to set up a simulation that uses SimStore. Parts 2 and 3 coming soon! youtube.com/watch?v=IAipZfZp…
David Swenson retweeted
OPS 1.5 has been released! This is a significant release with lots of improvements. Highlights are (1) "Spring shooting" algorithm; (2) "Hooks" to customize the simulation process, providing great flexibility. github.com/openpathsampling/…
David Swenson retweeted
As a follow-up to this month's @MolSSI_NSF school on rare event methods & software, there will be an OPS tutorial session led by @jocelyne_vreede, @davidswenson, and PG Bolhuis on 22 June at 15:00 GMT (11am EDT, 5pm CEST). Sign up by Sun 20 June to join! forms.gle/HCMAXk46NX31UqXS9
David Swenson retweeted
Sign up to learn about OPS and other software for rare events! There will also be an OPS tutorial on June 22; details in the MolSSI link.
Profs. L. Chong & D. Zuckerman have organized a FREE 2-day (June 8/15) “Virtual School on Open-Source Software for Rare-Event Sampling Strategies,” sponsored by the MolSSI. Applications deadline: May 15. Visit our website for more information and to apply! molssi.org/event/molssi-scho…
Maybe I should have RT’d more of these newsletters. But I show up 3 times in this issue! Can you find all 3?
Our April Newsletter is out 📰 !! Take a look at 👉 e-cam2020.eu/?mailpoet_route…
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I like the fact that Twitter says, “hey, maybe you want to read that article before retweeting it?” But it’s kind of funny when I *wrote* the article.
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David Swenson retweeted
A new E-CAM publication is out: Transition Path Sampling as Markov Chain Monte Carlo of Trajectories: Recent Algorithms, Software, Applications, and Future Outlook onlinelibrary.wiley.com/doi/… with @davidswenson (@ENSdeLyon) and Peter Bolhuis (@UvA_Amsterdam)
David Swenson retweeted
Replying to @davidswenson
@davidswenson E-CAM researcher at @ENSdeLyon will be presenting at the @APSphysics meeting this Wed 17th during a session dedicated to Rare Events Kinetics. His talk "Switching Channels in TPS: Rare events within rare events", will be live at 5:12 pm CDT meetings.aps.org/Meeting/MAR…
David Swenson retweeted
Didn’t have the chance to register to our seminar TODAY on High Throughput Computing with #Dask? Watch it live on YouTube from 15:00 CET at youtu.be/Tl8rO-baKuY
More info at cecam.org/workshop-details/1… @dask_dev @cecamEvents @davidswenson
A series of online tutorials I’m helping to organize. Still time to sign up for the first one!
High-throughput computing is a flexible approach to parallelisation. Our workshop "High Throughput Computing with Dask" will happen as a series of online tutorials which will help you use task-based computing with @Dask. 1st event happens on the 21st Jan 👉cecam.org/workshop-details/1…
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David Swenson retweeted
Happy New Year! Start it off with the new release (v0.2) of the OPS command line interface. The new command `md` runs until a trajectory matches the given ensemble; great for setting up sims. Also new: support for SimStore files. github.com/openpathsampling/…
David Swenson retweeted
Just in time for Christmas: OPS 1.4, with reactive flux (Bennett-Chandler) calculations and a new, faster storage subsystem. Who wouldn't want to find that wrapped up under the tree? Happy holidays! github.com/openpathsampling/…
How is the exponential growth rate of #COVID19 cases and deaths evolving in different countries? Improvements in Italy, mixed news for France, no improvement yet for the US. hyperblazer.net/2020/covid-1…
David Swenson retweeted
I wrote this for the Washington Post about what the history of veterinary quarantines can tell us about how to respond to COVID-19. Please read and share!
washingtonpost.com/outlook/2…
After a @fivethirtyeight post about uncertainty in expert predictions re: COVID-19, I reanalyzed the data based on now-known error in those predictions. Not a serious estimate of death toll, but a warning of uncertainty on the high end. hyperblazer.net/2020/covid-1…
David Swenson retweeted
OPS 1.2 has been released! Small improvements, including a function to facilitate path sampling equilibration, and many improvements to the documentation. Full release notes: github.com/openpathsampling/…










