Skip to content

Sizonnayak/clustering_drug_discovery

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

13 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

############################## conda env setup ###############################

$ conda create -n {env_name} python=3.12

$ conda activate {env name}

$ pip install -r requirements.txt

############################## clustering run ###############################

$ python3 clustering_run.py -i path/to/your/input_file.csv

#note: output file will saved in "output_cluster"

############################## data splitting #################################

$ python3 your_script_name.py -i path/to/your/input_file.csv

#note: output file will saved in "output_datasplitting"

############################## docker setup ###################################

$ cd /path/to/folder (where dockerfile is present)

#to build the image

$ docker build -t {image}:{tag} .

#to run

$ docker run --rm -it -v {/local/path}:{/container_path} {image}:{tag} /bin/bash

######################### additional docker commands ########################## $ docker images

#to export the image

$ docker save {image}:{tag} > {file_name_as_per_you}.tar

#First copy it to the new host computer #load the exported image to Docker

$ docker load < {file_name_as_per_you}.tar

This project uses https://github.com/mqcomplab/bitbirch, which is licensed under the LGPL 3.0 License. See the LICENSE file for the full terms.

About

No description, website, or topics provided.

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published