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lory-w committed Aug 19, 2024
1 parent 0982c59 commit c8fa725
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion matsciml/models/pyg/mace/wrapper/model.py
Original file line number Diff line number Diff line change
Expand Up @@ -152,7 +152,7 @@ def read_batch(self, batch: BatchDict) -> DataDict:
# hacky way of letting MACE work for single graph
if "batch" not in graph:
from torch_geometric.data import Batch

graph = Batch.from_data_list([graph])
assert hasattr(graph, "ptr"), "Graph is missing the `ptr` attribute!"
# the name of these keys matches up with our `_forward`, and
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