/tools/ReLeaSE

ReLeaSE

isayev/ReLeaSE

367 stars135 forksJupyter NotebookAdded February 4, 2026
summary

ReLeaSE is a tool that utilizes deep reinforcement learning to facilitate the de-novo design of drug molecules. It includes functionalities for optimizing molecular properties and generating new molecular structures based on learned patterns.

description

Deep Reinforcement Learning for de-novo Drug Design

topics

deeplearningreinforcement-learningcheminformaticsmolecular-modelingdrug-discoveryqsar

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