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whitead/dmol-book has 756 GitHub stars and 140 forks. Star changes are not measured yet. Last checked 2026-11-14 08:36 UTC. Last push 2026-10-26.

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概要

Deep learning for molecules and materials book

機械学習

Deep Learning for Molecules and Materials Book

Build Stats

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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