MolecularAI/REINVENT4

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

⭐ 841 ⑂ 230 Python Apache-2.0 · 13 天前推送

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

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