dptech-corp / Uni-Dock

Uni-Dock: a GPU-accelerated molecular docking program
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Common bias support #33

Open pkuyyj opened 1 year ago

pkuyyj commented 1 year ago

https://github.com/dptech-corp/Uni-Dock/blob/7c0cda06c94fc802194c55e7cec0cef1f834c31a/unidock_tools/unidock_tools/unidock.py#L331

As shown above, we support --multi_bias which requires as many reference ligand as input ligand. It will slower the docking process. Common bias using --bias is supported in Uni-Dock and is also widely used. Having the support will be very helpful and efficient for many users.