Update app.py

app.py

@@ -183,7 +183,6 @@ def pdb_structure(Structure_index):
     SurfacePoitCloud_all = []
     for index in Structure_index:
         structure_folder = join(temp_path, str(index))
-        os.makedirs(structure_folder, exist_ok=True)
         created_folders.append(structure_folder)
         pdb_file = join(pdb_path, f"{index}.pdb")
         if os.path.exists(pdb_file):
@@ -206,17 +205,12 @@ def pdb_structure(Structure_index):
     return SurfacePoitCloud_all_tensor
 
 def ACE(file):
-    if not os.path.exists(pdb_path):
-        os.makedirs(pdb_path)
-    else:
-        shutil.rmtree(pdb_path)
-        os.makedirs(pdb_path)
     # df = pd.read_csv(seq_path)
     # test_sequences = df["Seq"].tolist()
     # test_Structure_index = df["Structure_index"].tolist()
         
-    test_sequences = [file]
-    test_Structure_index = [f"structure_{i}" for i in range(len(test_sequences))]
+    test_sequences = file
+    test_Structure_index = "structure_1"
 
     
     test_dict = {"text":test_sequences, 'structure':test_Structure_index}
@@ -242,7 +236,6 @@ def ACE(file):
         print("=================================Start prediction========================")
         for index, (batch, structure_fea, fingerprint) in enumerate(test_dataloader):
             batchs = {k: v for k, v in batch.items()}
-            print(batchs)
             outputs = model(structure_fea, batchs, fingerprint)
             probability = outputs[0].tolist()
             print(outputs)
@@ -265,12 +258,8 @@ def ACE(file):
     summary['Probability'] = probability_all
     summary_df = pd.DataFrame(summary)
     summary_df.to_csv('output.csv', index=False)
-    if len(test_sequences) > 1:
-        out_text = "Please download csv"
-        out_prob = "Please download csv"
-    else:
-        out_text = output
-        out_prob = probability        
+    out_text = output
+    out_prob = probability        
     return 'output.csv', out_text, out_prob
 
 iface = gr.Interface(fn=ACE,