Question about colab demo for virtual screening with given protein pocket and candidate ligands #7
Description
Hi,
Thank you for sharing your excellent work and open-source code!
I encountered some issues while attempting to use demo data for virtual filtering and would like to seek your advice.
I am running: running_cmd = f"cd LigUnity; bash test_zeroshot_demo.sh {ligands_file} {protein_file} {uniprot} pocket_ranking {path2weight} {path2result}"。
Errors may occur: File "/home/python3.10/site-packages/unicore/tasks/init.py", line 21, in setup_task。 return TASK_REGISTRY[args.task].setup_task(args, **kwargs)KeyError: 'test_task'。
I would greatly appreciate it if you could provide an answer.