Support for md simulation over trained ml potential

[utkarshp1161]

Is there support for running MD simulation using the trained equiformer model by packages such as ASE?
for example nequip has it here: https://github.com/mir-group/nequip/tree/main/nequip/ase

[yilunliao]

Hi @utkarshp1161 .

Sorry for the late reply.
This codebase does not support running MD simulations.
You would need to re-write part of the code you pasted so that you can use Equiformer to run MD simulations.
However, I do not have any experience and can be little helpful.

Thanks.