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 11 months ago)

Stargazers 83 (0 this week)

Watchers 5 (0 this week)

Forks 8

License apache-2.0

Ranking

RepositoryStats indexes 610,149 repositories, of these XanaduAI/GradDFT is ranked #339,523 (44th percentile) for total stargazers, and #337,585 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #64,128/123,095.

XanaduAI/GradDFT is also tagged with popular topics, for these it's ranked: python (#14,497/22769), deep-learning (#5,615/8643), scientific-computing (#184/261)

Other Information

XanaduAI/GradDFT has 1 open pull request on Github, 43 pull requests have been merged over the lifetime of the repository.

Github issues are 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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Watcher History

Github watchers over time, collection started in '23

Recent Commit History

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

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Languages

The only known language in this repository is Python

updated: 2025-01-27 @ 09:29pm, id: 641029702 / R_kgDOJjVWRg