From eba299243e485028850a81a8f7d62ec92b89d0a8 Mon Sep 17 00:00:00 2001
From: "Xiang, Yan" <yan.xiang@duke.edu>
Date: Sat, 4 Jan 2025 23:50:16 -0500
Subject: [PATCH] bugfix for interpret.py

unify_datatype() is needed before kernel calculation.
---
 mgktools/interpret/interpret.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/mgktools/interpret/interpret.py b/mgktools/interpret/interpret.py
index 6924f53..3c6251b 100644
--- 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,