MatterSim
github.com/microsoft/mattersimDeep learning atomistic model across elements, temperatures, and pressures
Sourced from
- Awesome AI for Science — github.com/microsoft/mattersim
- GitHub — github.com/microsoft/mattersim
Related resources
Aims to provide useful high-level interfaces that make ML for materials science as easy as possible.
E(3)-equivariant neural network interatomic potentials achieving DFT accuracy with up to 1000× less training data than invariant models, foundational architecture behind MACE and Allegro (Harvard, MIT, Nature Communications 2022)
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