Skip to content

Commit

Permalink
fixed typo in dist vec concatenation code
Browse files Browse the repository at this point in the history
  • Loading branch information
elliottower committed Apr 29, 2021
1 parent 3cac47d commit a3f7f50
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion ocpmodels/models/graphtransformer.py
Original file line number Diff line number Diff line change
Expand Up @@ -298,7 +298,7 @@ def _forward(self, data):

data.edge_attr = self.distance_expansion(distances) # Features will be of dimensions [num_edges, num_gaussians]
if self.use_pbc:
data.edge_attr = torch.cat((data.edge_attr, edge_vec)) # Append difference in position (x, y, z) to edge attr
data.edge_attr = torch.cat((data.edge_attr, edge_vec), dim=1) # Append difference in position (x, y, z) to edge attr

# Convert to format from PyTorch Geometric to explicit mappings format used by GROVER
converted_input = convert_input(args, data)
Expand Down

0 comments on commit a3f7f50

Please sign in to comment.