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app.py

@@ -14,12 +14,12 @@ ATOM_SYMBOLS = ['C', 'N', 'O', 'H']
 device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
 
 path = 'model_labeled'
-# model = GraphDiT(
-#         model_config_path=f"{path}/config.yaml",
-#         data_info_path=f"{path}/data.meta.json",
-#         model_dtype=torch.float32
-#         )
-# model.to(device)
+model = GraphDiT(
+        model_config_path=f"{path}/config.yaml",
+        data_info_path=f"{path}/data.meta.json",
+        model_dtype=torch.float32
+        )
+model.to(device)
 
 def generate_random_smiles(length=10):
     return ''.join(random.choices(ATOM_SYMBOLS, k=length))