Update app.py

app.py

@@ -7,32 +7,27 @@ from tools.final_answer import FinalAnswerTool
 
 from Gradio_UI import GradioUI
 
-# Below is an example of a tool that does nothing. Amaze us with your creativity !
 @tool
-def my_custom_tool(smiles:str, property: )-> str: #it's import to specify the return type
-    #Keep this format for the description / args / args description but feel free to modify the tool
-    """A tool that does nothing yet 
+def qsartoolbox_calculator_tool(smiles:str, calculatorGUID: str)-> str: #it's import to specify the return type
+    """A tool that utilises the qsar toolbox calculator
     Args:
-        arg1: the first argument
-        arg2: the second argument
+        smiles: a smiles formula
+        calculatorGUID: a calculator guid to use 
     """
-    return "What magic will you build ?"
+    
+    return 4
 
 @tool
-def get_current_time_in_timezone(timezone: str) -> str:
-    """A tool that fetches the current local time in a specified timezone.
+def qsartoolbox_qsar_model_tool(smiles:str, qsarModelGUID: str)-> str: #it's import to specify the return type
+    """This machine learning model serves as an interface for the QSAR Toolbox API, 
+    allowing users to input SMILES strings and select a QSAR model to generate predictive values for various properties.
+    
     Args:
-        timezone: A string representing a valid timezone (e.g., 'America/New_York').
+        smiles: a smiles formula
+        qsarModelGUID: a qsar model guid to use 
     """
-    try:
-        # Create timezone object
-        tz = pytz.timezone(timezone)
-        # Get current time in that timezone
-        local_time = datetime.datetime.now(tz).strftime("%Y-%m-%d %H:%M:%S")
-        return f"The current local time in {timezone} is: {local_time}"
-    except Exception as e:
-        return f"Error fetching time for timezone '{timezone}': {str(e)}"
-
+    
+    return 4
 
 final_answer = FinalAnswerTool()
 
@@ -55,7 +50,7 @@ with open("prompts.yaml", 'r') as stream:
     
 agent = CodeAgent(
     model=model,
-    tools=[final_answer,get_current_time_in_timezone], ## add your tools here (don't remove final answer)
+    tools=[final_answer,qsartoolbox_qsar_model_tool], ## add your tools here (don't remove final answer)
     max_steps=6,
     verbosity_level=1,
     grammar=None,