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dptech-corp / Uni-Dock

Uni-Dock: a GPU-accelerated molecular docking program
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[GPU setting] device id #71

Closed envidian closed 8 months ago

envidian commented 8 months ago

Adding optional device_id parameter for GPU setting. Default value of 0 ensures compatibility with previous code is maintained.

envidian commented 8 months ago

@ysyecust kindly check this change for addition of device_id setting for GPU.