Read more about our MLIP distillation preprint in John’s thread! 🙂 #compchem #chemsky

John Gardner@jla-gardner.bsky.social · last yr.

Excited to share the pre-print we’ve been working on for the last ~4 months: “Distillation of atomistic foundation models across architectures and chemical domains” Deep dive thread below! 🤿🧵

Excited to share the pre-print we’ve been working on for the last ~4 months: “Distillation of atomistic foundation models across architectures and chemical domains” Deep dive thread below! 🤿🧵

I've been working hard behind the scenes, and am excited to announce that graph-pes version 0.1.0 is now out!

John Gardner@jla-gardner.bsky.social · 2y ago

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

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

Today I woke up to this 😮 a very small milestone, but also a very big one ☺️ more papers incoming soon!