From 8081037ba937abf1c9999d866e5bd4e4eca278ce Mon Sep 17 00:00:00 2001 From: Yuanqing Wang Date: Mon, 11 Jul 2022 15:10:07 -0400 Subject: [PATCH] fixed integer casting bug --- espaloma/graphs/utils/read_heterogeneous_graph.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/espaloma/graphs/utils/read_heterogeneous_graph.py b/espaloma/graphs/utils/read_heterogeneous_graph.py index 1d95f2d0..ce1b188a 100644 --- 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"]