Fix dtype

emdgroup · Mar 6, 2024 · 65a27c6 · 65a27c6
1 parent f9a5631
commit 65a27c6
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/baybe/utils/chemistry.py b/baybe/utils/chemistry.py
@@ -23,7 +23,9 @@
         """chemistry dependencies. Please run "pip install 'baybe[chem]'"."""
     )
 
-_mordred_calculator = Calculator(descriptors)
+from baybe.utils.numerical import DTypeFloatNumpy
+
+_mordred_calculator = Calculator(descriptors, config=dict(dtype=DTypeFloatNumpy))
 
 
 # Caching