Many congratulations to @creechem.bsky.social for passing his PhD viva today! 🎉

And huge thanks to @ppxasjsm.bsky.social & @mikewaring.bsky.social for examining!

@chemistryncl.bsky.social @mosmedcdt.bsky.social

🚨 Introducing graph-pes: a unified framework for building, training and using graph-based machine-learned models of potential energy surfaces! 🚨

#compchem #ML #ChemSky #CompChemSky

In case you missed it on the other site, we've written up some of our experiences from the CACHE2 hit finding challenge in this blog: cole-group.github.io/2024/09/10/c...

Thanks to the organisers for a well-run challenge!

@creechem.bsky.social @bieniekmat.bsky.social @nataliejtatum.bsky.social