DeepGraphLearning#236 Issue in atom2valence Solved

Shashank1202 · Aug 22, 2024 · 9ca9ba1 · 9ca9ba1
1 parent 6066fbd
commit 9ca9ba1
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/torchdrug/data/molecule.py b/torchdrug/data/molecule.py
@@ -518,7 +518,7 @@ def is_valid(self):
         """A coarse implementation of valence check."""
         # TODO: cross-check by any domain expert
         atom2valence = torch.tensor(float("nan")).repeat(constant.NUM_ATOM)
-        for k, v in self.atom2valence:
+        for k, v in self.atom2valence.items():
             atom2valence[k] = v
         atom2valence = torch.as_tensor(atom2valence, device=self.device)