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4 stars written in Jupyter Notebook
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Deep learning for molecules and materials book

Jupyter Notebook 595 115 Updated Jul 2, 2023

Code, slides, and documentation for the talks I have given.

Jupyter Notebook 113 47 Updated Apr 18, 2023

This library holds a collection of Notebooks and code examples for AWS AI Bootcamps.

Jupyter Notebook 113 56 Updated Aug 27, 2018

A research-grade quantum chemistry program written in Julia

Jupyter Notebook 62 13 Updated Apr 7, 2021