diff --git a/src/mattersim/utils/mlflow_utils.py b/src/mattersim/utils/mlflow_utils.py index 3d07759..d97b1bf 100644 --- a/src/mattersim/utils/mlflow_utils.py +++ b/src/mattersim/utils/mlflow_utils.py @@ -82,8 +82,9 @@ def predict(self, context, model_input, params=None): with tempfile.TemporaryDirectory() as td: data["work_dir"] = td - df = wrapper(atoms_list, **data) - output = json.loads(df.to_json(orient="records")) + df = wrapper(atoms_list, **data) + output = json.loads(df.to_json(orient="records")) + # print(f"Output:\n{output}") return output