Update app.py

app.py

@@ -29,31 +29,29 @@ class Config:
 def predict_stability(cfg, model_choice, organism_choice, pdb_file=None, sequence=None):
     # Check if pdb_file is provided
     if pdb_file:
-        error1
         pdb_path = pdb_file.name  # Get the path of the uploaded PDB file
         os.system("chmod 777 bin/foldseek")
         sequences = get_foldseek_seq(pdb_path)
-        error2
-        # if not sequences:
-        #     return "Failed to extract sequence from the PDB file."
-        # if model_choice == "SaProt":
-        #     sequence = sequences[2]
-        # else:
-        #     sequence = sequences[0]
-
-    # if organism_choice == "Human":
-    #     cell_line = "HeLa"
-    # else:
-    #     cell_line = "NIH3T3"
-    # # If sequence is provided directly
-    # if sequence:
-    #     cfg.model = f"sagawa/PLTNUM-{model_choice}-{cell_line}"
-    #     cfg.architecture = model_choice
-    #     cfg.model_path = f"sagawa/PLTNUM-{model_choice}-{cell_line}"
-    #     output = predict(cfg, sequence)
-    #     return f"Predicted Stability using {model_choice} for {organism_choice}: Example Output with sequence {output}..."
-    # else:
-    #     return "No valid input provided."
+        if not sequences:
+            return "Failed to extract sequence from the PDB file."
+        if model_choice == "SaProt":
+            sequence = sequences[2]
+        else:
+            sequence = sequences[0]
+
+    if organism_choice == "Human":
+        cell_line = "HeLa"
+    else:
+        cell_line = "NIH3T3"
+    # If sequence is provided directly
+    if sequence:
+        cfg.model = f"sagawa/PLTNUM-{model_choice}-{cell_line}"
+        cfg.architecture = model_choice
+        cfg.model_path = f"sagawa/PLTNUM-{model_choice}-{cell_line}"
+        output = predict(cfg, sequence)
+        return f"Predicted Stability using {model_choice} for {organism_choice}: Example Output with sequence {output}..."
+    else:
+        return "No valid input provided."
 
 
 def get_foldseek_seq(pdb_path):
@@ -154,7 +152,7 @@ with gr.Blocks() as demo:
 
             predict_button.click(
                 fn=predict_stability,
-                inputs=[model_choice, organism_choice, pdb_file],
+                inputs=[Config, model_choice, organism_choice, pdb_file],
                 outputs=prediction_output,
             )
 
@@ -172,7 +170,7 @@ with gr.Blocks() as demo:
 
             predict_button.click(
                 fn=predict_stability,
-                inputs=[model_choice, organism_choice, sequence],
+                inputs=[Config, model_choice, organism_choice, sequence],
                 outputs=prediction_output,
             )