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HAC-Net v1.4.2

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@gregory-kyro gregory-kyro released this 02 May 17:53
· 42 commits to main since this release
1.4.2
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Learn about vigilant mode.
  • Source code for updated version of HACNet Python package
  • Includes function to predict pKd for a single protein-ligand complex from protein (PDB) and ligand (MOL2) files alone
  • Tutorial notebook and demo video are linked in README
  • In order to create a function to perform the entire HAC-Net prediction pipeline that is user-friendly and does not require any external programs, we introduce a few subtle discrepancies related to preprocessing the input files, although the original function is still available in HACNet/functions.py
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