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L30nardoSV committed Oct 8, 2020
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# Reproducing IA^3 Paper: Parallelizing Irregular Computations for Molecular Docking
# Artifacts IA^3 Paper: Parallelizing Irregular Computations for Molecular Docking

Artifacts for paper.
Intended for _Artifacts Evaluation_.

This repository consists of:

* Scripts for re-running experiments described in paper
* See root folder
* Additional files containing parameters for AutoDock
* See [docking parameter files](./dpf_autodock426) folder
* Output examples
* See [docking log](./dlg_examples) folder
# Downloads

Required programs and inputs:

* AutoDock-GPU
* https://github.com/ccsb-scripps/AutoDock-GPU
* Data set
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