search

devalab / DeepPocket

Ligand Binding Site detection using Deep Learning
MIT License
89 stars 26 forks source link

molgrid version? #32

Closed JavierSanchez-Utges closed 4 months ago

JavierSanchez-Utges commented 4 months ago

Which version of molgrid is this running? I am running molgrid=0.1.1 and getting this error:

Traceback (most recent call last):
  File "predict.py", line 89, in <module>
    protein_gninatype=gninatype(protein_nowat_file)
  File "/content/fpocket/DeepPocket/types_and_gninatyper.py", line 20, in gninatype
    dataloader=molgrid.ExampleProvider(atom_map,shuffle=False,default_batch_size=1)
ValueError: Unknown keyword argument default_batch_size

Any idea how to fix this?

RishalAggarwal commented 4 months ago

could you try using a more updated version of molgrid?

JavierSanchez-Utges commented 4 months ago

I switched to 0.5.2 and that fixed the error. Thanks.