PermissionError: [Errno 13] Permission denied: '.so3_omegas_array4.npy'

Docker Engine General
1

Hi, I have the following error when running the python inference of diffdock using docker container. Does anyone know how to fix it? Many thanks.

/home/appuser/DiffDock/utils/so3.py:59: RuntimeWarning: invalid value encountered in sqrt
_exp_score_norms = np.sqrt(np.sum(_score_norms**2 * _pdf_vals, axis=1) / np.sum(_pdf_vals, axis=1) / np.pi)
Traceback (most recent call last):
File "/home/appuser/micromamba/envs/diffdock/lib/python3.9/runpy.py", line 197, in _run_module_as_main
return _run_code(code, main_globals, None,
File "/home/appuser/micromamba/envs/diffdock/lib/python3.9/runpy.py", line 87, in _run_code
exec(code, run_globals)
File "/home/appuser/DiffDock/inference.py", line 28, in
import utils.utils
File "/home/appuser/DiffDock/utils/utils.py", line 17, in
from models.aa_model import AAModel
File "/home/appuser/DiffDock/models/aa_model.py", line 13, in
from utils import so3, torus
File "/home/appuser/DiffDock/utils/so3.py", line 61, in
np.save('.so3_omegas_array4.npy', _omegas_array)
File "/home/appuser/micromamba/envs/diffdock/lib/python3.9/site-packages/numpy/lib/npyio.py", line 542, in save
file_ctx = open(file, "wb")
PermissionError: [Errno 13] Permission denied: '.so3_omegas_array4.npy'
2

It seems “appuser” has no permission to save a file where you tried.

3

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