whitead/dmol-book
whitead/dmol-book has 757 GitHub stars and 140 forks. GitHot measured +1 stars in 24 hours. Last checked 2026-11-15 11:15 UTC. Last push 2026-10-26.
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Deep learning for molecules and materials book
Aprendizaje automáticoREADME.md
OriginalDeep 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