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JuDFTteam / best-of-atomistic-machine-learning

🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.

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Add project: QMLearn #250

Closed Irratzo closed 1 month ago

Irratzo commented 6 months ago

Project details:

Project Name: QMLearn
Description: Quantum Machine Learning by learning one-body reduced density matrices in the AO basis. https://doi.org/10.1038/s41467-023-41953-9
GitLab URL: https://gitlab.com/pavanello-research-group/qmlearn
Category: ml-esm
Labels:
Homepage: http://qmlearn.rutgers.edu/
License: MIT
Package Managers: None

Additional context:

Documentation not linked in repo README at time of writing. http://qmlearn.rutgers.edu/
Original publication not linked in repo README at time of writing. https://doi.org/10.1038/s41467-023-41953-9