From 09df0d50e631eef36c817ea9cff9174709515131 Mon Sep 17 00:00:00 2001 From: Leonardo Solis V Date: Thu, 8 Oct 2020 17:07:24 +0200 Subject: [PATCH] Completing README.md --- README.md | 14 ++++++++++++-- 1 file changed, 12 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 934d494..1ba3635 100644 --- a/README.md +++ b/README.md @@ -1,9 +1,19 @@ -# 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