[Fix] Compound Grouping, Identity prediction of enviFormer, Setting params (#337)

Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#337

epdb/legacy_api.py

@@ -1332,8 +1332,13 @@ def get_package_scenario(request, package_uuid, scenario_uuid):
         }
 
 
+@router.post("/package/{uuid:package_uuid}/scenario")
+def create_package_scenario(request, package_uuid):
+    pass
+
+
 @router.delete("/package/{uuid:package_uuid}/scenario")
-def delete_scenarios(request, package_uuid, scenario_uuid):
+def delete_scenarios(request, package_uuid):
     try:
         p = PackageManager.get_package_by_id(request.user, package_uuid)
 
@@ -1520,7 +1525,7 @@ def create_pathway(
     try:
         p = PackageManager.get_package_by_id(request.user, package_uuid)
 
-        stand_smiles = FormatConverter.standardize(pw.smilesinput.strip())
+        stand_smiles = FormatConverter.standardize(pw.smilesinput.strip(), remove_stereo=True)
 
         new_pw = Pathway.create(p, stand_smiles, name=pw.name, description=pw.description)
 
@@ -1937,7 +1942,7 @@ def get_model(request, package_uuid, model_uuid, c: Query[Classify]):
                 return 400, {"message": "Received empty SMILES"}
 
             try:
-                stand_smiles = FormatConverter.standardize(c.smiles)
+                stand_smiles = FormatConverter.standardize(c.smiles, remove_stereo=True)
             except ValueError:
                 return 400, {"message": f'"{c.smiles}" is not a valid SMILES'}