bioscripts

Example works for cancer/bio research

Running Locally

1. clone this repository

git clone git@github.com:insilica/bioscripts.git

2. Run jupyter/data-science notebook in the clone path

docker run --rm -p 10000:8888 -e JUPYTER_ENABLE_LAB=yes \
  -v "$PWD":/home/jovyan/work \
  --name toxtrack-jupyter \ 
  jupyter/datascience-notebook:9b06df75e445

3. execute bash on running container

docker container exec -it toxtrack-jupyter /bin/bash

4. install deepchemenv conda environment

conda env create -f ./environment.yml

5. add deepchemenv to jupyter kernels

python -m ipykernel install --user --name myenv --display-name "deepchemenv"