Autodock (#21)

* Added Autodock workload

* removed unnecessary contents

* removed unnecessary contents

* Removed old files and updated README and data download script

* updated readme and data download script

* updated readme and data download script

* updated README

* updated README

* updated README

* updated README

* updated README

* updated README

* updated README

* updated README

* updated README

* updated data download script for the test cases

* updated README for proxy build command for docker

---------

Co-authored-by: arunvelliyangiri18 <[email protected]>
Co-authored-by: manasi-t24 <[email protected]>

Author: 3 people

applications/Autodock/README.md

@@ -2,10 +2,17 @@
 Open-Omics-Autodock is an optimized, multithreaded SYCL CPU version of the original AutoDock for high-performance molecular docking, enabling efficient protein-ligand interaction predictions.
 # Docker Setup Instructions
 ## 1. Build the Docker Image
-To build the Docker image with the tag `autodock-sycl-cpu`, run the below command:
+
+To build the Docker image with the tag autodock-sycl-cpu, use the following commands based on your machine's proxy requirements:
+* For machine without a proxy:
 ```zsh
 docker build -t autodock-sycl-cpu .
 ```
+* For machine with a proxy:
+```zsh
+docker build --build-arg http_proxy=<http_proxy> --build-arg https_proxy=<https_proxy> --build-arg no_proxy=<no_proxy_ip> -t autodock-sycl-cpu .
+```
+
 ## 2. Prepare Input and Output Directories                                                                                     
 We can choose any protein complex from **140** protein-ligand complexes available on (https://zenodo.org/records/4031961) (dataset can be downloaded as a zip file from the link here https://zenodo.org/records/4031961/files/data.zip?download=1).