[Tutorial] How to Add New Atom Types to Uni-Dock

dptech-corp / Uni-Dock-Dev

Uni-Dock: a GPU-accelerated molecular docking program

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[Tutorial] How to Add New Atom Types to Uni-Dock #2

Open zhengh96 opened 9 months ago

zhengh96 commented 9 months ago

How to add new atom types to Uni-Dock is the first step in developing custom scoring functionality. Please describe the implementation in the developer tutorial.