isayev / ANI1_dataset

A data set of 20 million calculated off-equilibrium conformations for organic molecules

Date Created 2017-08-07 (7 years ago)

Commits 25 (last one 2 years ago)

Stargazers 96 (0 this week)

Watchers 12 (0 this week)

Forks 18

License mit

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RepositoryStats indexes 584,777 repositories, of these isayev/ANI1_dataset is ranked #298,641 (49th percentile) for total stargazers, and #177,637 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #55,339/116,437.

isayev/ANI1_dataset is also tagged with popular topics, for these it's ranked: machine-learning (#4,812/7935), chemistry (#93/174), opendata (#61/121)

Other Information

isayev/ANI1_dataset has 1 open pull request on Github, 1 pull request has been merged over the lifetime of the repository.

Github issues are enabled, there are 8 open issues and 3 closed issues.

All Topics

opendata chemistry cheminformatics machine-learning molecular-modeling molecular-structures

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

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The only known language in this repository is Python

updated: 2024-11-05 @ 10:14am, id: 99615735 / R_kgDOBfAD9w