Custom dataset .load() broken

jonathanking / sidechainnet

An all-atom protein structure dataset for machine learning.

BSD 3-Clause "New" or "Revised" License

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Custom dataset .load() broken #40

Closed AllanSCosta closed 2 years ago

AllanSCosta commented 2 years ago

Hi Jonathan,

I use the load function for loading custom datasets. With the most recent update, I think something broke in loading custom datasets:

  "sidechainnet/utils/load.py", line 267, in load
    scn_dict = scn.utils.manual_adjustment._repair_1GJJ_1_A(scn_dict)
  "sidechainnet/utils/manual_adjustment.py", line 72, in _repair_1GJJ_1_A
    for idx, cur_id in enumerate(datadict[split]["ids"]):
KeyError: 'valid-10'

Thanks Allan

jonathanking commented 2 years ago

Hi Allan,

Thank you for letting me know. My apologies! I'll fix this ASAP.

Best, Jonathan

jonathanking commented 2 years ago

This should work, but let me know if you are having trouble with it. Thanks again for pointing this out!

AllanSCosta commented 2 years ago

Worked for me, thanks :)