Update app.py

app.py

@@ -521,6 +521,21 @@ graph = builder.compile()
 
 @spaces.GPU
 def MoleculeAgent(task, smiles, name):
+  '''
+  This Agent performs three tasks:
+  1. Can fetch a SMILES string for a molecule based on the name
+  2. Can fetch an IUPAC and common name for a molecule based on the SMILES string
+  3. Can find molecules similar to a given molecule based on its SMILES string.
+
+  Args:
+      task: the specific task to perform
+      smiles: the smiles string of the molecule to be studied
+      name: the name of the molecule to be studied. 
+      (only the smiles or name are needed, not both. The other should be passed as None)
+  Returns:
+      replies[-1]: a text string containing the requested information.
+      img: an image of the similar molecules, or a blank image.
+  '''
 
   #if Similars_image.png exists, remove it
   if os.path.exists('Similars_image.png'):