changed column names

predict.py

@@ -19,18 +19,7 @@ def predict(smiles_list):
     set_seed(0)
     # tox21 targets
     TARGET_NAMES = [
-            "NR-AR",
-            "NR-AR-LBD",
-            "NR-AhR",
-            "NR-Aromatase",
-            "NR-ER",
-            "NR-ER-LBD",
-            "NR-PPAR-gamma",
-            "SR-ARE",
-            "SR-ATAD5",
-            "SR-HSE",
-            "SR-MMP",
-            "SR-p53",
+            "NR-AhR","NR-AR","NR-AR-LBD","NR-Aromatase","NR-ER","NR-ER-LBD","NR-PPAR-gamma","SR-ARE","SR-ATAD5","SR-HSE","SR-MMP","SR-p53"
         ]
     DEVICE = torch.device("cuda" if torch.cuda.is_available() else "cpu")
     print(f"Received {len(smiles_list)} SMILES strings")
@@ -62,7 +51,7 @@ def predict(smiles_list):
 
         except Exception as e:
             # If SMILES fails, return zeros
-            pred_dict = {t: 0.0 for t in TARGET_NAMES}
+            pred_dict = {t: 0.5 for t in TARGET_NAMES}
             predictions[smiles] = pred_dict
 
     return predictions