We had a few lightening talks presenting the community initiatives supported by OMSF: Free Energy Workshop (feworkshop.org) by Jonah Vilseck, BPDMC (bpdmc.org) by Chris Ball, @bitsinbio.bsky.social by Nelly Tian, and OpenRosetta by Julia Koehler Leman.

After our last coffee break, @dwhswenson.net is updating everyone about progress we've made on our #NSF POSE grant, including the release of the first batch of playbooks available at playbooks.omsf.io. We started with the contributor, developer and benchmarking playbooks.

Woody Sherman from Psivant provided an industry perspective on molecular modelling, open science, @openfold.io consortium, @omsf.io and future directions for computational molecular sciences. We also got richer for a new expression that received hearty approval -- "free energy landscape artist"

Aniket Margakar from Boehringer demonstrated how they use @omsf.io tools in house, praising both the tools and teams -- that's what we like to hear! He highly recommends NAGL and bespokefit for fast charge assignment and parameterization, and @openfree.energy for FE calcs

@jenkescheen.bsky.social showcased his work on @asapdiscovery.bsky.social and more recently with CharmTx, combining ML and more traditional free energy calculations. A lot, if not all, of his work is based on @openfree.energy, #openforcefield, and #alchemsicale. Read his papers for more details!

After refueling with some sandwiches, Matt Thompson ran a demo connecting OMSF tools in a working workflow (!). You can find the demo notebook here and try it yourself: github.com/openforcefie.... Feedback welcome!

@moalquraishi.bsky.social shared some challenges encountered and learnings gained through painful data preparation and multiple training experiments for the next release of OpenFold, which is coming soon!

Ryan Renslow and Hugo MacDermott-Opeskin gave a gentle intro to our latest project @openadmet.bsky.social in collaboration with QBI UCSF and Octant Bio, funded by ARPA-H.

Next in line is @ialibay.bsky.social with an overview of Open Free Energy and the latest plans and developments. Did I say we have a full house in the lovely Museum of Science in grey Boston?

In short, the new release is coming soon, the team is working hard on consistent force fields for small molecules and (bio)polymers, plus some new tools in the belt, like #pablo.

And fantastic to hear from @karmencj.bsky.social on the experiences and challenges of building research infrastructure with @omsf.io !