search

HySonLab / Protein_Redesign

Complex-based Ligand-Binding Proteins Redesign by Equivariant Diffusion-based Generative Models
https://www.biorxiv.org/content/10.1101/2024.04.17.589997v2.full.pdf
MIT License
39 stars 5 forks source link

ModuleNotFoundError: No module named 'dpl' #1

Closed denizkavi closed 7 months ago

denizkavi commented 7 months ago 
~/Protein_Redesign$ python generate.py     --ckpt_path "checkpoints/ProteinReDiff_v1.ckpt"     --output_dir "workdir/generate/example_ProteinReDiff"     --protein "LSEQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLSTVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFEFRYAKMPD"     --ligand "Cc1ccc2c(c1c3cc(cc4c3nc([nH]4)C5CC5)c6c(noc6C)C)cccn2"     --num_samples 8
Traceback (most recent call last):
  File "/home/ubuntu/Protein_Redesign/generate.py", line 16, in <module>
    from dpl.data import RepeatDataset, collate_fn, ligand_to_data, protein_to_data
ModuleNotFoundError: No module named 'dpl'

It looks like the the conda environment setup doesn't include dpl. I've tried to clone the DPL repo directly and use the directory inside there, but that doesn't seem to be the same one as expected in this repo. Would be great if there's a way to fix this installation.

ndnng commented 7 months ago

We just fixed the module import. Some of the module borrowed from DPL but we have modified a lot of functions there. Thanks for being the first tester and pointing it out!