update

utils.py

@@ -209,7 +209,7 @@ class ReactionPredictionModel():
         self.forward_model.to("cuda")
         self.forward_model.eval()
 
-    @spaces.GPU(duration=30)
+    @spaces.GPU(duration=60)
     def predict(self, test_loader, task_type):
         predictions = []
         for i, batch in tqdm(enumerate(test_loader), total=len(test_loader), desc="Evaluating"):
@@ -248,9 +248,10 @@ class ReactionPredictionModel():
                                    )
 
             print(outputs)
-            original_smiles_list = self.tokenizer.batch_decode(outputs[:, len(inputs['input_ids'][0]):],
+            original_smiles_list = self.tokenizer.batch_decode(outputs.detach().cpu().numpy()[:, len(inputs['input_ids'][0]):],
                                                           skip_special_tokens=True) 
             original_smiles_list = map(lambda x: x.replace(" ", ""), original_smiles_list)
+            print(original_smiles_list)
             # canonize the SMILES
             canonized_smiles_list = []
             temp = []