ChemistryAtlas Model

REINVENT4 prior and agent models

Generative molecular designtrained modelchemistry modelgenerative designde novo designreinforcement learningdrug discovery

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

Model kind: model system.
Primary use: Generative molecular design.
Platform/source: GitHub.

Citation: Trained model resource: REINVENT4 prior and agent models

TypeModel
DomainGenerative molecular design
LicenseApache-2.0
ContributorsMolecularAI