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dmol-book

Deep learning for molecules and materials book.

TutorialsML/AI fundamentalsJupyter Notebook
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Created 2020-08-19 · Updated 2026-10-14 · #14194 today
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README

Deep Learning for Molecules and Materials Book

View book at dmol.pub

© Andrew White

Build Book Locally

To build the book locally you need to install Jupyter Book:

python -m pip install -U jupyter-book
# conda install -c conda-forge jupyter-book

With Jupyter Book installed you can build the book locally as follows:

# 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

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