https://github.com/whitead/dmol-book

Deep learning for molecules and materials book
https://github.com/whitead/dmol-book

chemistry deep-learning materials-informatics

Last synced: 11 days ago
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Deep learning for molecules and materials book

• Host: GitHub
• URL: https://github.com/whitead/dmol-book
• Owner: whitead
• License: other
• Created: 2020-08-19T19:24:32.000Z (about 4 years ago)
• Default Branch: main
• Last Pushed: 2023-07-02T18:02:57.000Z (over 1 year ago)
• Last Synced: 2024-10-15T09:31:26.948Z (26 days ago)
• Topics: chemistry, deep-learning, materials-informatics
• Language: Jupyter Notebook
• Homepage: https://dmol.pub
• Size: 75.7 MB
• Stars: 609
• Watchers: 16
• Forks: 120
• Open Issues: 29
• Metadata Files:
  • Readme: README.md
  • Changelog: changelog.md
  • License: LICENSE

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README

        
# Deep Learning for Molecules and Materials Book

[![Build Stats](https://github.com/whitead/dmol-book/workflows/deploy-book/badge.svg)](https://github.com/whitead/dmol-book/actions)

View book at [dmol.pub](https://dmol.pub)

© Andrew White

## Build Book Locally

To build the book locally you need to install [Jupyter Book](https://jupyterbook.org/en/stable/intro.html):

```bash

python -m pip install -U jupyter-book

# conda install -c conda-forge jupyter-book

```

With [Jupyter Book](https://jupyterbook.org/en/stable/intro.html) installed you can build the book locally as follows:

```bash

# From the root directory of the repository

jupyter-book build .

```

The HTML of the book are located in the `_build/html` directory. Open the `index.html` file to land on the home page of the book.

## Developing

This repo uses pre-commit, so after cloning run `pip install -r dev-requirements.txt` and `pre-commit install` prior to committing.

If you have already committed, but your PR is failing because of a pre-commit error, run `pre-commit run --all`