OSError: libcusparse.so.11: cannot open shared object file: No such file or directory

[divyavani-d]

Traceback (most recent call last):
File "/home/ubuntu/Divya/FragXsiteDTI/main.py", line 10, in
from dataset import collate_wrapper
File "/home/ubuntu/Divya/FragXsiteDTI/dataset.py", line 4, in
import dgl
File "/home/ubuntu/anaconda3/envs/fragx/lib/python3.11/site-packages/dgl/init.py", line 14, in
from .backend import backend_name, load_backend # usort: skip
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/ubuntu/anaconda3/envs/fragx/lib/python3.11/site-packages/dgl/backend/init.py", line 122, in
load_backend(get_preferred_backend())
File "/home/ubuntu/anaconda3/envs/fragx/lib/python3.11/site-packages/dgl/backend/init.py", line 51, in load_backend
from .._ffi.base import load_tensor_adapter # imports DGL C library
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/ubuntu/anaconda3/envs/fragx/lib/python3.11/site-packages/dgl/_ffi/base.py", line 50, in
_LIB, _LIB_NAME, _DIR_NAME = _load_lib()
^^^^^^^^^^^
File "/home/ubuntu/anaconda3/envs/fragx/lib/python3.11/site-packages/dgl/_ffi/base.py", line 39, in _load_lib
lib = ctypes.CDLL(lib_path[0])
^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/ubuntu/anaconda3/envs/fragx/lib/python3.11/ctypes/init.py", line 376, in init
self._handle = _dlopen(self._name, mode)
^^^^^^^^^^^^^^^^^^^^^^^^^
OSError: libcusparse.so.11: cannot open shared object file: No such file or directory

[yazdanimehdi]

Hello,
I think it is an issue with your DGL package installation.
Please try removing the package and install it this way:

pip install dgl -f https://data.dgl.ai/wheels/repo.html

Also you can use the DeepDrugDomain as well:
https://github.com/yazdanimehdi/DeepDrugDomain