John Gardner
@jla-gardner.bsky.social
ML for Potential Energy Surfaces
PhD student at Oxford
Former Microsoft AI4Science Intern
PhD student at Oxford
Former Microsoft AI4Science Intern
Reposted by John Gardner
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! 🤿🧵
“Distillation of atomistic foundation models across architectures and chemical domains”
Deep dive thread below! 🤿🧵
June 23, 2025 at 5:23 PM
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! 🤿🧵
“Distillation of atomistic foundation models across architectures and chemical domains”
Deep dive thread below! 🤿🧵
June 23, 2025 at 2:13 PM
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! 🤿🧵
“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!
🚨 Introducing graph-pes: a unified framework for building, training and using graph-based machine-learned models of potential energy surfaces! 🚨
#compchem #ML #ChemSky #CompChemSky
#compchem #ML #ChemSky #CompChemSky
April 22, 2025 at 4:35 PM
I've been working hard behind the scenes, and am excited to announce that graph-pes version 0.1.0 is now out!
🚨 Introducing graph-pes: a unified framework for building, training and using graph-based machine-learned models of potential energy surfaces! 🚨
#compchem #ML #ChemSky #CompChemSky
#compchem #ML #ChemSky #CompChemSky
December 9, 2024 at 8:53 AM
🚨 Introducing graph-pes: a unified framework for building, training and using graph-based machine-learned models of potential energy surfaces! 🚨
#compchem #ML #ChemSky #CompChemSky
#compchem #ML #ChemSky #CompChemSky
Today I woke up to this 😮 a very small milestone, but also a very big one ☺️ more papers incoming soon!
December 2, 2024 at 7:29 AM
Today I woke up to this 😮 a very small milestone, but also a very big one ☺️ more papers incoming soon!