filenames

inference_app.py

@@ -98,7 +98,7 @@ def predict(
     print(docking_poses)
     end_time = time.time()
     run_time = end_time - start_time
-    return [input_protein.name, docking_poses[0].name], run_time
+    return [input_protein.name, str(docking_poses[0])], run_time
 
 
 def get_metrics(
@@ -186,7 +186,7 @@ with gr.Blocks() as app:
                 "color": "greenCarbon",
             },
         ]
-        # smiles = molecule2d(input_ligand)
+        smiles = molecule2d(input_ligand)
         out = Molecule3D(reps=reps)
         run_time = gr.Textbox(label="Runtime")