fixed integer casting bug

choderalab · Jul 11, 2022 · 8081037 · 8081037
1 parent 83f14e6
commit 8081037
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/espaloma/graphs/utils/read_heterogeneous_graph.py b/espaloma/graphs/utils/read_heterogeneous_graph.py
@@ -269,7 +269,7 @@ def from_homogeneous_and_mol(g, offmol):
         )
 
     import dgl
-    hg = dgl.heterograph({key: list(value) for key, value in hg.items()})
+    hg = dgl.heterograph({key: value.astype(np.int32).tolist() for key, value in hg.items()})
 
     hg.nodes["n1"].data["h0"] = g.ndata["h0"]