diff --git a/mlcalcdriver/calculators/schnetpack.py b/mlcalcdriver/calculators/schnetpack.py index 2bf46d7..0e67f59 100644 --- a/mlcalcdriver/calculators/schnetpack.py +++ b/mlcalcdriver/calculators/schnetpack.py @@ -125,7 +125,6 @@ def run( [batch[deriv_name].cpu().detach().numpy() for batch in pred] ) else: - print(init_property) predictions[out_name] = np.concatenate( [batch[init_property].cpu().detach().numpy() for batch in pred] )