DeltaGroupNJUPT / Vina-GPU-2.1

Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening
Apache License 2.0
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about add hydrogen? #28

Open yanbosmu opened 1 month ago

yanbosmu commented 1 month ago

Does VINA-GPU-2.1 need add hydrogen on ligands before docking? seems like you don't add hydrogen in your example files?