diff --git a/unimol/unimol/utils/docking_utils.py b/unimol/unimol/utils/docking_utils.py
index af3b31b..05d3033 100644
--- a/unimol/unimol/utils/docking_utils.py
+++ b/unimol/unimol/utils/docking_utils.py
@@ -181,7 +181,7 @@ def docking_data_pre(raw_data_path, predict_path):
             distance_predict = distance_predict.numpy().astype(np.float32)
             holo_distance_predict = holo_distance_predict.numpy().astype(np.float32)
             # Fill diagonal with 0, issue with the model not learning to predict 0 distance
-            holo_distance_predict = np.fill_diagonal(holo_distance_predict, 0)
+            np.fill_diagonal(holo_distance_predict, 0)
             #
             holo_coords = holo_coordinates.numpy().astype(np.float32)