aamini / chemprop

Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.

Date Created 2021-07-22 (3 years ago)

Commits 785 (last one 3 years ago)

Stargazers 115 (0 this week)

Watchers 7 (0 this week)

Forks 15

License mit

Ranking

RepositoryStats indexes 599,932 repositories, of these aamini/chemprop is ranked #268,984 (55th percentile) for total stargazers, and #272,365 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #49,804/120,502.

aamini/chemprop is also tagged with popular topics, for these it's ranked: neural-network (#664/1112), chemistry (#82/180), drug-discovery (#55/120)

Other Information

aamini/chemprop has Github issues enabled, there is 1 open issue and 0 closed issues.

All Topics

molecule chemistry uncertainty drug-discovery neural-network active-learning virtual-screening bayesian-optimization evidential-deep-learning

Star History

Github stargazers over time

Watcher History

Github watchers over time, collection started in '23

Recent Commit History

0 commits on the default branch (confidence-evidential) since jan '22

No recent commits to this repository

Yearly Commits

Commits to the default branch (confidence-evidential) per year

Issue History

Languages

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

updated: 2024-11-14 @ 11:34am, id: 388299389 / R_kgDOFyT6fQ