Update inference_app.py

inference_app.py

@@ -12,9 +12,11 @@ def predict (input_sequence, input_ligand,input_msa, input_protein):
     start_time = time.time()
     # Do inference here
     # return an output pdb file with the protein and ligand with resname LIG or UNK. 
+    # also return any metrics you want to log, metrics will not be used for evaluation but might be useful for users
+    metrics = {"mean_plddt": 80, "binding_affinity": -2}
     end_time = time.time()
     run_time = end_time - start_time
-    return ["test_out.pdb", "test_docking_pose.sdf"], run_time
+    return ["test_out.pdb", "test_docking_pose.sdf"], metrics, run_time
 
 with gr.Blocks() as app:
 
@@ -63,8 +65,9 @@ with gr.Blocks() as app:
   ]
     
     out = Molecule3D(reps=reps)
+    metrics = gr.JSON(label="Metrics")
     run_time = gr.Textbox(label="Runtime")
 
-    btn.click(predict, inputs=[input_sequence, input_ligand, input_msa, input_protein], outputs=[out, run_time])
+    btn.click(predict, inputs=[input_sequence, input_ligand, input_msa, input_protein], outputs=[out,metrics, run_time])
 
 app.launch()