Update app.py

app.py

@@ -595,6 +595,21 @@ graph = builder.compile()
 
 @spaces.GPU
 def PropAgent(task, smiles, reference):
+  '''
+  This agent can perform three tasks:
+  1. Find Lipinski (ADME) properties of a molecules from its SMILES string
+  2. Find the pharmacophore similarity between a molecule and a reference molecules from their SMILES strings.
+  3. Generate analogues of a molecule containing an aromatic ring from its SMILES string.
+
+  Args:
+      task: the specific task to perform
+      smiles: the smiles string for the molecule to be studied
+      reference: the smiles string for the reference molecule; only needed when calculating pharmacophore similarity.
+                 should be None otherwise.
+  Returns:
+      replies[-1]: a text string with the requested information. 
+      img: an image of the analogues generated, or a blank image.
+  '''
 
   #if Substitution_image.png exists, remove it
   if os.path.exists('Substitution_image.png'):