Skip to content

Commit 5fe46a2

Browse files
xiaochenduCopilot
andauthored
Apply suggestions from code review
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
1 parent df42616 commit 5fe46a2

1 file changed

Lines changed: 1 addition & 1 deletion

File tree

scripts/train_nff.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -255,7 +255,7 @@ def main(
255255
logger.info("Fine-tuning model")
256256
model = load_model(model_path, model_type=model_type, map_location=device, device=device)
257257
if "NffScaleMACE" in model_type and trim_embeddings:
258-
atomic_numbers = to_tensor(train.props["nxyz"], stack=True)[:, 0].unique().to(int).tolist()
258+
atomic_numbers = to_tensor(train.props["nxyz"], stack=True)[:, 0].unique().to(torch.int64).tolist()
259259
logger.info("Trimming embeddings with MACE model and atomic numbers %s", atomic_numbers)
260260
model = reduce_foundations(model, atomic_numbers, load_readout=True)
261261
model_freezer = get_layer_freezer(model_type)

0 commit comments

Comments
 (0)