Deep Learning for Life Sciences

Example code from the book "Deep Learning for the Life Sciences"

Installation

I recommend to using a docker, you can pull images from DockerHub.

• deepchemio/deepchem:2.4.0
  • Image built by using a conda(2.4.0 is a version of deepchem)
  • This image is built when we push 2.4.0. tag
  • Dockerfile is put in docker/tag_ directory

How to install docker?

Check this officical docker website.

Clone the git repo

First, you need to clone this repo in your computer.

gh repo clone partrita/DeepLearningLifeSciences

Then, you create a container based on the image.

docker run --rm -it -v $PWD:/root/mydir/ deepchemio/deepchem:2.4.0

If you want GPU support:

If nvidia-docker is installed

nvidia-docker run --rm -it -v $PWD:/root/mydir/ deepchemio/deepchem:2.4.0
docker run --runtime nvidia --rm -it -v $PWD:/root/mydir/ deepchemio/deepchem:2.4.0

If nvidia-container-toolkit is installed

docker run --gpus all --rm -it -v $PWD:/root/mydir/ deepchemio/deepchem:2.4.0

You are now in a docker container which deepchem was installed. You can start playing with it in the command line.