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Add CUDA device support for ReceptorCNN - #210

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navidmrmhd:fix-receptor-cnn-cuda
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navidmrmhd wants to merge 1 commit into
uio-bmi:masterfrom
navidmrmhd:fix-receptor-cnn-cuda

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Summary

This pull request adds CUDA/device support for ReceptorCNN and related PyTorch implementations.

Changes

  • Added device handling for CPU and CUDA execution.
  • Updated ReceptorCNN to move input tensors to the selected device.
  • Updated prediction handling to move outputs back to CPU before NumPy conversion.
  • Added device_manager.py.
  • Updated PyTorchReceptorCNN.py.

Testing

The changes were tested with the updated implementation to support device-aware execution.

Contributors

This work was completed jointly by:

  • MRD_immunoG_DataA
  • navidmrmhd
    Both contributors worked on the implementation.

Co-authored-by: MRD_immunoG_DataA <m.dadashi5204@iau.ir>
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