MIR@Harvard
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- United States of America
- https://mir.g.harvard.edu/
- @Materials_Intel
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pair_nequip_allegro
pair_nequip_allegro PublicLAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
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Repositories
- CiderPress Public
A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework
- allegro-pol Public
Allegro-pol extends the Allegro architecture to model the electric response of materials
- allegro Public
Allegro is a code for building highly scalable E(3)-equivariant interatomic potentials
- nequip-nac Public
NequIP-NAC extends the NequIP architecture to perform nonadiabatic molecular dynamics.
- pair_nequip_allegro Public
LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
- nequip-extension-template Public template
This repo serves as a minimal template for `nequip` extension packages.
- nequip-tutorial Public
- nequip-benchmark-run Public
Resources for running NequIP foundation models with LAMMPS on Perlmutter
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