The mfi-M3GNet model is now available by enabling the hyparameters for n_state_types and state_embedding_dim. Moreover, a variable "state_attr" is also available for performing calculations with multi-fidelity M3GNet.
Checklist
[x] Google format doc strings added. Check with ruff.
[x] Type annotations included. Check with mypy.
[x] Tests added for new features/fixes.
[x] If applicable, new classes/functions/modules have duecredit@due.dcite decorators to reference relevant papers by DOI (example)
Tip: Install pre-commit hooks to auto-check types and linting before every commit:
Summary
The mfi-M3GNet model is now available by enabling the hyparameters for n_state_types and state_embedding_dim. Moreover, a variable "state_attr" is also available for performing calculations with multi-fidelity M3GNet.
Checklist
ruff.mypy.duecredit@due.dcitedecorators to reference relevant papers by DOI (example)Tip: Install
pre-commithooks to auto-check types and linting before every commit: