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Published May 2, 2023 | Version 1.4.2
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gregory-kyro/HAC-Net: HAC-Net v1.4.2

Authors/Creators

  • 1. Yale

Description

  • 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

Files

gregory-kyro/HAC-Net-1.4.2.zip

Files (81.2 MB)

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Additional details

Related works

Is supplement to
https://github.com/gregory-kyro/HAC-Net/tree/1.4.2 (URL)