MolecularAI/REINVENT4

REINVENT4

✅ Recently maintained

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

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239Forks
+67-day stars

Python · Apache-2.0 · Last push 2026-10-13

Official repository & installation ↗
aicheminformaticschemistrydenovo-designgenerative-aimlmolecule-generationastrazenecadeep-learningneural-networks

GitValue · Value evidence

Unscored · Evidence coverage 0%

Provisional rubric; documentation and runtime testing are separate. Missing evidence does not imply low value.

Star history

2025-09-292026-11-03
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Get the project

git clone https://github.com/MolecularAI/REINVENT4.git

Cloning downloads the source. For dependencies and installation, follow the project README.

Related projects & alternative candidates

Related domains do not imply feature parity. Review official documentation and licenses.