bugfix for interpret.py

unify_datatype() is needed before kernel calculation.
Xiangyan93 · Jan 5, 2025 · eba2992 · eba2992
1 parent 5e710cf
commit eba2992
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/mgktools/interpret/interpret.py b/mgktools/interpret/interpret.py
@@ -101,6 +101,7 @@ def interpret_training_mols(smiles_to_be_interpret: List[str],
     full.create_graphs(n_jobs=n_jobs)
     if features_generators is not None:
         full.create_features_mol(n_jobs=n_jobs)
+    full.unify_datatype()
     kernel_config = get_kernel_config(
         train,
         graph_kernel_type=graph_kernel_type,