XanaduAI/GradDFT

GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine learning techniques.

PythonStars 108Forks 9Watchers 108Open issues 12License Apache License 2.0

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OwnerXanaduAI

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GitHubhttps://github.com/XanaduAI/GradDFT

Last pushed2024-02-13

Last updated2025-12-14

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XanaduAI/GradDFT

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