Liza Kozlova comments

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                                            Liza Kozlova

RuntimeError: Not compiled with GPU support (my eviroment is pytorch 1.4.0 ubuntu18.04)

Using a docker container following the instructions at #176 was the only thing that helped in my case

Add a Dockerfile including DCNv2 GPU compilation

Note that you need to run `systemctl reload docker` after setting the default runtime

recreate pdbs after generate?

Hey! We're very glad that it was useful for you, sorry for the long response time. You can generate a PDB file from a `ProteinEntry` instance by running `protein.to_pdb(PATH)`. It...

Calling ProteinEntry.from_pickle(<path>).to_pdb(<target_path>) on the entire dataset reveals errors

Could you please attach an example file that this fails on or say its pdb id @ardagoreci ?

Calling ProteinEntry.from_pickle(<path>).to_pdb(<target_path>) on the entire dataset reveals errors

This code ran for me without any errors. ```python from proteinflow.data import ProteinEntry from tqdm import tqdm import os folder = "data/proteinflow_20230102_stable/train" for filename in tqdm(os.listdir(folder)): ProteinEntry.from_pickle(os.path.join(folder, filename)).to_pdb("tmp.pdb") ```