DeepChem

DeepChem is a library for deep learning, applied to the life sciences.

This library is covered by this book: https://proquest.safaribooksonline.com/book/programming/machine-learning/9781492039822

Installation

Follow installation instructions on the Readme on Github: https://github.com/deepchem/deepchem#easy-install-via-conda

Don't use the installation instructions provided on the site: https://deepchem.io/index.html

Using Conda

Start by creating a conda environment that will include the proper channels (deepchem, rdkit, conda-forge, and omnia):

conda install -c deepchem -c rdkit -c conda-forge -c omnia deepchem=2.1.0

or create an environment:

conda create -n deepchem -c deepchem -c rdkit -c conda-forge -c omnia deepchem=2.1.0

(Version number pinning is optional but recommended.)