dptech-corp / Uni-Dock

Uni-Dock: a GPU-accelerated molecular docking program

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add AD4 scoring function #29

Closed caic99 closed 6 months ago

caic99 commented 1 year ago

fix #27

pkuyyj commented 1 year ago

https://github.com/dptech-corp/Uni-Dock/blob/7c0cda06c94fc802194c55e7cec0cef1f834c31a/unidock/src/lib/scoring_function.h#L83C25-L83C25 This will affect FAST_SIZE

caic99 commented 6 months ago

27