add a convertion step before GraphCrystalDisordered training

megnet/data/graph.py

@@ -580,6 +580,13 @@ def _generate_inputs(self, batch_index: list) -> tuple:
                 - [ndarray]: List of indices for the start of each bond
                 - [ndarray]: List of indices for the end of each bond
         """
+        import collections
+        if isinstance(self.atom_features[0][0], collections.defaultdict):
+            from megnet.data.crystal import CrystalGraphDisordered
+            cgd = CrystalGraphDisordered()
+            for i in range(len(self.atom_features)):
+                self.atom_features[i] = cgd.atom_converter.convert(
+                        self.atom_features[i].tolist()).tolist()
 
         # Get the features and connectivity lists for this batch
         feature_list_temp = itemgetter_list(self.atom_features, batch_index)