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v0.2.0

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@amorehead amorehead released this 05 Jul 15:49
· 473 commits to main since this release
v0.2.0
8221fe2

v0.2.0 Release Notes

Additions:

  • Added P2Rank as a new binding site prediction method available to use with AutoDock-Vina
  • Added OpenJDK to the PoseBench Conda environment to enable P2Rank inference
  • Added a script to benchmark the required compute resources for each baseline method

Updates:

  • Updated citation

Corrections:

  • Corrected directory navigation instructions (i.e., cd references) in README.md to reflect the directory structure of each Zenodo archive file
  • Corrected Biopython, NumPy, and ProDy versions in the DiffDock Conda environment to avoid GCC compilation errors
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