torch-geometric in molecules

alexhernandezgarcia · Mar 14, 2024 · 4c6efa0 · 4c6efa0
1 parent 4fa1bb3
commit 4c6efa0
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/pyproject.toml b/pyproject.toml
@@ -68,6 +68,7 @@ dev = [
 materials = ["pymatgen", "pyxtal", "dave", "pyshtools"]
 molecules = [
     "pyg_lib",
+    "torch-geometric",
     "torch-scatter",
     "torch-sparse",
     "torch-cluster",