mdsunivie / deeperwin

DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electron Schrödinger equation. DeepErwin supports weight-sharing when optimizing wave functions for multiple nuclear geometries and the usage of pre-trained neural network weights to accelerate optimization.

Date Created 2021-06-14 (3 years ago)

Commits 69 (last one 14 days ago)

Stargazers 54 (0 this week)

Watchers 2 (0 this week)

Forks 8

License other

Ranking

RepositoryStats indexes 599,932 repositories, of these mdsunivie/deeperwin is ranked #448,265 (25th percentile) for total stargazers, and #487,734 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #86,011/120,502.

mdsunivie/deeperwin is also tagged with popular topics, for these it's ranked: deep-learning (#6,836/8553), deep-neural-networks (#534/636), transfer-learning (#245/314)

Other Information

mdsunivie/deeperwin has 1 open pull request on Github, 4 pull requests have been merged over the lifetime of the repository.

There have been 3 releases, the latest one was published on 2024-03-25 (9 months ago) with the name Transferable atomic orbitals.

All Topics

deep-learning physical-chem weight-sharing transfer-learning quantum-monte-carlo deep-neural-networks schrodinger-equation variational-monte-carlo

Star History

Github stargazers over time

Watcher History

Github watchers over time, collection started in '23

Recent Commit History

35 commits on the default branch (master) since jan '22

Yearly Commits

Commits to the default branch (master) per year

Issue History

Languages

The primary language is Python but there's also others...

updated: 2024-12-20 @ 05:35am, id: 376868395 / R_kgDOFnaOKw