MolecularAI/REINVENT4

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

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Stars

853

Forks

230

Language

Python

License

Apache-2.0

Last push

7 days ago

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

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