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Reproducing IA^3 2020 Paper: "Parallelizing Irregular Computations for Molecular Docking"

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L30nardoSV/reproduce-ia3-moleculardocking

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Reproducing IA^3 2020 Paper: Parallelizing Irregular Computations for Molecular Docking

This repository contains the scripts and configuration files used in the Artifact Appendix of the article accepted at:

The 10th Workshop on Irregular Applications: Architectures and Algorithms (IA^3), 2020

and published on IEEExplore:

https://doi.org/10.1109/IA351965.2020.00008.

Contents

  • Scripts for re-running experiments described in paper
    • See bash scripts withtin root folder
  • Additional files containing parameters for AutoDock
  • Output examples of both AutoDock and AutoDock-GPU

Downloads

Required programs and inputs:

Further information

Additional material include the paper preprint and presentation slides.