arneschneuing / DiffSBDD

A Euclidean diffusion model for structure-based drug design.
MIT License
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error while running generate_ligands.py #37

Open MachineGUN001 opened 1 year ago

MachineGUN001 commented 1 year ago

hi, Arn,

thanks for your update on the repo. but when I try to run generate_ligands.py, I get the following error:

File "d:\Cheminfo_Workshop\4_Fragment_Scaffold_Evolution\DiffSBDD-main\utils.py", line 69, in write_xyz_file
    with open(filename, 'w') as f:
PermissionError: [Errno 13] Permission denied: 'C:\\Users\\lsy\\AppData\\Local\\Temp\\tmp8oe6ibtz'

my OS system is windows10, python 3.8 this problem I have not seen before. and could you please provide some suggestions how to fix it u?

many thanks,

Best,

Sh-Y