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Add yaml template paths as parameters for UMA finetuning script #1572

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Add yaml template paths as parameters for UMA finetuning script #1572

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24 changes: 22 additions & 2 deletions src/fairchem/core/scripts/create_uma_finetune_dataset.py
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Original file line number Diff line number Diff line change
Expand Up @@ -34,8 +34,11 @@ def create_yaml(
dataset_name: str,
regression_tasks: str,
base_model_name: str,
uma_finetune_yaml: Path | str | None = None,
data_task_yaml: Path | str | None = None,
):
data_task_yaml = TEMPLATE_DIR / REGRESSION_LABEL_TO_TASK_YAML[regression_tasks]
if data_task_yaml is None:
data_task_yaml = TEMPLATE_DIR / REGRESSION_LABEL_TO_TASK_YAML[regression_tasks]
with open(data_task_yaml) as file:
template = yaml.safe_load(file)
template["dataset_name"] = dataset_name
Expand All @@ -52,7 +55,8 @@ def create_yaml(
) as yaml_file:
yaml.dump(template, yaml_file, default_flow_style=False, sort_keys=False)

uma_finetune_yaml = TEMPLATE_DIR / UMA_SM_FINETUNE_YAML
if uma_finetune_yaml is None:
uma_finetune_yaml = TEMPLATE_DIR / UMA_SM_FINETUNE_YAML
with open(uma_finetune_yaml) as file:
template_ft = yaml.safe_load(file)
template_ft["base_model_name"] = base_model_name
Expand Down Expand Up @@ -115,6 +119,20 @@ def create_yaml(
default=8,
help="Number of parallel workers for processing files.",
)
parser.add_argument(
"--uma-finetune-yaml",
type=str,
default=None,
help="Path to the finetuning template file, "
"if not specified defaults to template file within the repository.",
)
parser.add_argument(
"--data-task-yaml",
type=str,
default=None,
help="Path to the template file for the dataset specification, "
"if not specified defaults to template file within the repository based on regression task.",
)
args = parser.parse_args()
assert not Path(
args.output_dir
Expand All @@ -141,6 +159,8 @@ def create_yaml(
dataset_name=args.uma_task,
regression_tasks=args.regression_tasks,
base_model_name=args.base_model,
uma_finetune_yaml=args.uma_finetune_yaml,
data_task_yaml=args.data_task_yaml
)
logging.info(f"Generated dataset and data config yaml in {args.output_dir}")
logging.info(
Expand Down