Can Dockey use Uni-Dock?

lmdu / dockey

an integrated tool for molecular docking and virtual screening

https://dockey.readthedocs.io

MIT License

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Can Dockey use Uni-Dock? #27

Open Evert-Homan opened 1 month ago

Evert-Homan commented 1 month ago

Hi,

I successfully compiled Uni-Dock (https://github.com/dptech-corp/Uni-Dock) into an executable on Ubuntu. It seems to be very fast as it uses GPU for docking. Would it be possible to call Uni-Dock from within Dockey as an additional docking engine?

Thanks/Evert

lmdu commented 1 month ago

I am sorry. The current version of Dockey could not support for Uni-Dock.