mir-group / allegro

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

Home Page:https://www.nature.com/articles/s41467-023-36329-y

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Question about Allegro v0.3.0

haihai-00 opened this issue · comments

Hi,
I am recently reading the paper "Scaling the leading accuracy of deep equivariant models to biomolecular simulations of realistic size". It describes some efficient optimizations to speed up Allegro.

And the paper saying "All experiments were run with the Allegro code available at https://github.com/mir-group/allegro under git commit cc76ba89a489e77329e69a2c5381fdf49bfc1060 and version 0.3.0.".

However I can not find neither this commit or v0.3.0 in this repo. So where can I find the code version that including all the optimizations described in the paper?

Thank you!