Runtime Error: The detected CUDA version (12.3) mismatches the version that was used to compile PyTorch (11.3). Please make sure to use the same CUDA versions.

gcorso / DiffDock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

https://arxiv.org/abs/2210.01776

MIT License

1.06k stars 254 forks source link

Closed suryasiriki4 closed 8 months ago

suryasiriki4 commented 8 months ago

Getting this runtime error while install these packages:

Pls help

suryasiriki4 commented 8 months ago

resolved using: "conda install pytorch-cluster -c pyg" instead of original "pip install torch-cluster -f https://data.pyg.org/whl/torch-1.11.0+cu117.html"