There is a bug.
Different feature was cropped separately in the dataloader, causing the final cropped features not align with each other.
for k, v in example.items():
if k in FEATURES_1D:
fixed_size_example[k], seq_mask = make_fixed_size_1d(
v, fixed_size=self.fixed_size, start_idx=start_idx
)
In the function make_fixed_size_1d, there is a random function to sample a fixed piece from the whole pdb sample. As it in the loop for k, v in example.items(), different features such as "aatype" and "chain_index" may be cropped as different pieces from the whole sample.
@alexechu @duerrsimon @gelnesr @zhkim216
There is a bug.
Different feature was cropped separately in the dataloader, causing the final cropped features not align with each other.
In the function
make_fixed_size_1d, there is a random function to sample a fixed piece from the whole pdb sample. As it in the loopfor k, v in example.items(), different features such as "aatype" and "chain_index" may be cropped as different pieces from the whole sample.@alexechu @duerrsimon @gelnesr @zhkim216