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PKUGaoGroup / DSDP

Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, several modifications are introduced to PUResNet program. The pose sampling part is similar as AutoDock Vina combined with a number of modifications.
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Confusing Code in main_SingleRun.cu File May Mislead Users #10

Open Rhylan2333 opened 10 months ago

Rhylan2333 commented 10 months ago

In the "DSDP_blind_docking/" path, the main_SingleRun.cu file on line 138 has the code "This is the re-docking program.\n" which may confuse users. Consider changing it to "This is the blind-docking program.\n".

PKUGaoGroup commented 9 months ago

Thanks for your suggestion, the corresponding part has been modified.