Data Download

Quantum Computing

Energy and Functional Materials

AI for Discovery and Self-Driving Labs

Electronic Structure Methods

Biophysics, Molecular Computers, and Other Topics

Open Software & Data

Quantum Computing

Energy and Functional Materials

AI for Discovery and Self-Driving Labs

Electronic Structure Methods

Biophysics, Molecular Computers, and Other Topics

Open Software & Data

Data Download

Data Download

Harvard Clean Energy Project

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Database 1, 2012 version

Database 2, 2013 version

If needed, molecular geometry archive xyz_archive

Aspuru-Guzik Group

University of Toronto | Department of Chemistry
80 St. George Street
Toronto, ON, M5S 3H6

How to Contact Alan

@2020