MolecularAI / REINVENT4

AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

Date Created 2023-10-20 (about a year ago)

Commits 191 (last one 18 days ago)

Stargazers 447 (7 this week)

Watchers 19 (0 this week)

Forks 111

License apache-2.0

Ranking

RepositoryStats indexes 632,869 repositories, of these MolecularAI/REINVENT4 is ranked #103,642 (84th percentile) for total stargazers, and #114,233 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #17,697/129,221.

MolecularAI/REINVENT4 is also tagged with popular topics, for these it's ranked: deep-learning (#2,273/8814), ai (#1,168/4861), reinforcement-learning (#334/1451), neural-networks (#223/759), generative-ai (#146/693), ml (#176/654), transfer-learning (#61/324), chemistry (#17/188), drug-discovery (#19/130), cheminformatics (#13/102)

Other Information

MolecularAI/REINVENT4 has 1 open pull request on Github, 24 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there is 1 open issue and 132 closed issues.

There have been 6 releases, the latest one was published on 2024-11-22 (4 months ago) with the name Release 4.5.

All Topics

ai ml chemistry astrazeneca drug-design deep-learning denovo-design generative-ai drug-discovery cheminformatics neural-networks transfer-learning molecule-generation reinforcement-learning

Star History

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Watcher History

Github watchers over time, collection started in '23

Recent Commit History

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

Yearly Commits

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Issue History

Languages

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

updated: 2025-03-29 @ 07:35am, id: 707552952 / R_kgDOKixmuA