Windows installation instructions

Since chemicalite is not available on the Windows platform, a workaround is needed to use HIPPO. In this case using a linux virtual machine within Docker provides an accessible route to using HIPPO. Follow the steps below

Setting up Docker

Docker is the industry standard way to create and share application containers, which are standalone Linux emulations with customisable software environments.

  1. Create a Docker account

  2. Install Docker Desktop

Setting up the Jupyter extension

HIPPO works best within a JupyterLab interface. This is provided on the Docker Extension Marketplace.

  1. In Docker Desktop: go to Add Extensions

  2. Search for Jupyter Notebook Scientific Python Stack Extension and install it

  3. Open the newly installed extension

Installing HIPPO

  1. Open a terminal in the JupyterLab interface

  2. Follow the linux/mac installation procedure for HIPPO:

pip install --upgrade hippo-db
conda install -c conda-forge chemicalite

The HIPPO module will now be available to use in any Jupyter notebook running inside the Docker extension:

import hippo
animal = hippo.HIPPO('test', 'test.sqlite')

N.B. the Docker Extension is running inside a container with a persistent storage volume and software environment that will survive a Docker Desktop restart, but if you uninstall the extension the data (and HIPPO installation) will be lost.

Further resources

See the other pages in this documentation for help with HIPPO, and further information on the Jupyter Docker Extension is documented here.