From d00e7a018e445991eab989b062befb2cde86e58c Mon Sep 17 00:00:00 2001 From: Richard Xue Date: Thu, 12 Dec 2019 18:50:32 -0500 Subject: [PATCH] Update new.py --- torchani/data/new.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/torchani/data/new.py b/torchani/data/new.py index 6ab1873f9..4601605bd 100644 --- a/torchani/data/new.py +++ b/torchani/data/new.py @@ -593,7 +593,7 @@ def collate_fn(data, chunk_threshold, properties_info): if properties_info['padding_values'][i] is None: prop = torch.stack(prop) else: - prop = torch.nn.utils.rnn.pad_sequence(batch_species, + prop = torch.nn.utils.rnn.pad_sequence(prop, batch_first=True, padding_value=properties_info['padding_values'][i]) # sort with number of atoms