search

mir-group / allegro

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials
https://www.nature.com/articles/s41467-023-36329-y
MIT License
327 stars 46 forks source link

Availability of config files to reproduce results #48

Open utkarshp1161 opened 1 year ago

utkarshp1161 commented 1 year ago

Hi, is there an availability of allegro input files? like for nequip: https://github.com/mir-group/nequip-input-files

niklundgren commented 6 months ago

Pinging this again, just to make sure it didn’t accidentally slip through the cracks! ◡̈

DavidW99 commented 6 months ago

https://github.com/mir-group/allegro/tree/main/configs