/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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