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Commit abc8f7f8 authored by Richard Xue's avatar Richard Xue Committed by Gao, Xiang
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Update new.py (#404)

parent be848453
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torchani/data/new.py
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...@@ -593,7 +593,7 @@ def collate_fn(data, chunk_threshold, properties_info): ...@@ -593,7 +593,7 @@ def collate_fn(data, chunk_threshold, properties_info):
if properties_info['padding_values'][i] is None: if properties_info['padding_values'][i] is None:
prop = torch.stack(prop) prop = torch.stack(prop)
else: else:
prop = torch.nn.utils.rnn.pad_sequence(batch_species, prop = torch.nn.utils.rnn.pad_sequence(prop,
batch_first=True, batch_first=True,
padding_value=properties_info['padding_values'][i]) padding_value=properties_info['padding_values'][i])
# sort with number of atoms # sort with number of atoms
......
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