[paired_batch_size] Write score

dptech-corp / Uni-Dock

Uni-Dock: a GPU-accelerated molecular docking program

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Closed envidian closed 7 months ago

envidian commented 7 months ago

Minor enhancement to write affinity score by default, for paired batch mode. @ysyecust

envidian commented 7 months ago

@ysyecust kindly review