XanaduAI / GradDFT

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

Date Created 2023-05-15 (about a year ago)

Commits 419 (last one 4 months ago)

Stargazers 70 (0 this week)

Watchers 5 (0 this week)

Forks 5

License apache-2.0

Ranking

RepositoryStats indexes 537,046 repositories, of these XanaduAI/GradDFT is ranked #346,893 (35th percentile) for total stargazers, and #317,847 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #63,737/104,105.

XanaduAI/GradDFT is also tagged with popular topics, for these it's ranked: python (#14,633/20519), deep-learning (#5,667/7848), scientific-computing (#185/236)

Other Information

XanaduAI/GradDFT has Github issues enabled, there are 11 open issues and 43 closed issues.

All Topics

jax flax pyscf python deep-learning quantum-chemistry scientific-computing differentiable-computing density-functional-theory

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Recent Commit History

419 commits on the default branch (main) since jan '22

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The only known language in this repository is Python

updated: 2024-06-27 @ 04:25am, id: 641029702 / R_kgDOJjVWRg