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samsledje / ConPLex

Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.
http://conplex.csail.mit.edu
MIT License
119 stars 32 forks source link

Seems to depend upon CUDA, but not in requirements.txt file #27

Closed GlazerMann closed 1 year ago

GlazerMann commented 1 year ago

This error when running: OSError: libcurand.so.10: cannot open shared object file: No such file or directory I think that the requirements.txt file should have cudatoolkit version specified.

samsledje commented 1 year ago

Hi @GlazerMann ,

Can you clarify if you are installing from source or via pip? It is a little tricky to specify CUDA dependencies generally since they depend on the CUDA drivers for the particular machine.

GlazerMann commented 1 year ago

The user in question used pip. You are right about the dependencies. Perhaps the make file could suggest the user have cuda installed.

samsledje commented 1 year ago

Is the issue fixed for the user by installing cudatoolkit prior to pip install conplex-dti? If this works, I can update the installation instructions to specify this. If not, I'll have to spend some time figuring out the best way to add torch dependency correctly to our current build process with poetry/pyproject.toml, or otherwise overhaul the build process.

GlazerMann commented 1 year ago

That worked for them.

samsledje commented 1 year ago

Great, thanks for pointing this out!