deepmodeling / deepmodeling/Uni-Mol

Ligand Preparation / Result Issue with Docking V2

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Description

When running Uni-Mol Docking V2 via the demo.sh script on a custom protein-ligand, every part of the process seems to complete successfully, but the result file for the ligand is different than the input ligand. Do I need to prep the ligand in a certain way to resolve this?

![image](https://github.com/dptech-corp/Uni-Mol/assets/34488463/b5a6b5a7-7f87-4c35-80ed-74fbbe18952f)

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