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[Feature] Features Request from Uni-Dock Repo #10

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zhengh96 opened this issue Jan 24, 2024 · 0 comments
Open
4 tasks

[Feature] Features Request from Uni-Dock Repo #10

zhengh96 opened this issue Jan 24, 2024 · 0 comments
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@zhengh96
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zhengh96 commented Jan 24, 2024

I reviewed the issues in the Uni-Dock Repo, and there are a few feature requests that should be satisfied with a small amount of development. If possible, I also suggest releasing them along with Uni-Dock v1.1.

  • save scoring components in result SDF file #57
  • load an SDF ligand file containing multiple ligands #53 (I have read the previous discussion, but since it's a common case, we can re-think the solution.)
  • Explanation on Bias Docking #39
  • AD4 scoring function #27
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