MolecularAI / REINVENT4
git clone https://github.com/MolecularAI/REINVENT4.git
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
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LanguagePython
LicenseApache-2.0
Created2023-10-20 (3y ago)
Last push7d ago
OwnerOrganization
GitHub topics
aiastrazenecacheminformaticschemistrydeep-learningdenovo-designdrug-designdrug-discoverygenerative-aimlmolecule-generationneural-networksreinforcement-learningtransfer-learning