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Rxitect

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A collection of deep reinforcement learning-based & GFlowNet drug molecule generators focused on generation of molecules using Graphs/SELFIES guided by modern retrosynthesis tools to increase synthetic accessibility of de-novo designed drugs.

deep-learningdrug-discoverygenerative-modelgflownetmolecular-graphsmulti-objective-optimizationreinforcement-learningrnnselfiessmiles
Creat：2022-02-05T22:34:16
Update：2024-09-28T16:39:18
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