diff --git a/emmet-builders/emmet/builders/materials/ml.py b/emmet-builders/emmet/builders/materials/ml.py index 5d17f00ac4..ee6cf5846a 100644 --- a/emmet-builders/emmet/builders/materials/ml.py +++ b/emmet-builders/emmet/builders/materials/ml.py @@ -38,7 +38,7 @@ def __init__( Defaults to None. provenance (dict, optional): Additional provenance information to include in MLDocs. Will be saved in each document so use sparingly. Defaults to None. - Set to {} to disable default provenance model_name, model_version, matcalc_version. + Set to {} to disable default provenance model, version, matcalc_version. """ self.materials = materials self.ml_potential = ml_potential @@ -55,8 +55,8 @@ def __init__( model_name = {"chgnetcalculator": "chgnet"}.get(model_name, model_name) pkg_name = {"m3gnet": "matgl"}.get(model_name, model_name) self.provenance = dict( - model_name=model_name, - model_version=version(pkg_name), + model=model_name, + version=version(pkg_name), matcalc_version=version("matcalc"), **(provenance or {}), ) diff --git a/emmet-core/emmet/core/ml.py b/emmet-core/emmet/core/ml.py index 9222cee178..347e8503fa 100644 --- a/emmet-core/emmet/core/ml.py +++ b/emmet-core/emmet/core/ml.py @@ -58,10 +58,10 @@ class MLDoc(ElasticityDoc): matcalc_version: Optional[str] = Field( None, description="Version of matcalc used to generate this document" ) - model_name: Optional[str] = Field( + model: Optional[str] = Field( None, description="Name of model used as ML potential." ) - model_version: Optional[str] = Field( + version: Optional[str] = Field( None, description="Version of model used as ML potential" )