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yazdanimehdi / FragXsiteDTI

Drug Target Interaction Prediction Using Protein Binding Sites And Drug Fragments
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OSError: libcusparse.so.11: cannot open shared object file: No such file or directory #1

Open divyavani-d opened 8 months ago

divyavani-d commented 8 months ago

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 commented 8 months ago

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