aamini / chemprop

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

Date Created 2021-07-22 (2 years ago)

Commits 785 (last one 2 years ago)

Stargazers 105 (0 this week)

Watchers 7 (0 this week)

Forks 16

License mit

Ranking

RepositoryStats indexes 523,840 repositories, of these aamini/chemprop is ranked #259,894 (50th percentile) for total stargazers, and #256,773 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #46,584/100,813.

aamini/chemprop is also tagged with popular topics, for these it's ranked: neural-network (#647/1021), chemistry (#77/160)

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

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

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updated: 2024-05-30 @ 03:00pm, id: 388299389 / R_kgDOFyT6fQ