QSARion-smolagents

Running

alarv commited on Feb 21

Commit

47857e8

verified ·

1 Parent(s): 7e5de14

Update app.py

Files changed (1) hide show

app.py CHANGED Viewed

@@ -357,7 +357,7 @@ def qsartoolbox_get_property_value_tool(smiles:str, qsartoolbox_qsar_model: str)
     qsar_model_guid = next(x for x in possible_qsar_guids if qsartoolbox_qsar_model == x["value"])["key"]
-    results = jaqpot.qsartoolbox_qsar_model_predict_sync(smiles, qsarModelGUID)
     result = next((x for x in results if x["Value"] != ''), None)
     if(result != None):

     qsar_model_guid = next(x for x in possible_qsar_guids if qsartoolbox_qsar_model == x["value"])["key"]
+    results = jaqpot.qsartoolbox_qsar_model_predict_sync(smiles, qsar_model_guid)
     result = next((x for x in results if x["Value"] != ''), None)
     if(result != None):