/tools/ReinventCommunity
ReinventCommunity
MolecularAI/ReinventCommunity
174 stars58 forksJupyter NotebookAdded February 4, 2026
summary
The ReinventCommunity repository provides a collection of Jupyter notebook tutorials for using REINVENT 3.2, focusing on molecular design through reinforcement learning and QSAR modeling. It includes examples of data preparation, model building, and various reinforcement learning scenarios to generate and optimize novel compounds.
topics
cheminformaticsneural-networksastrazenecareinforcement-learningdenovo-designtransfer-learningjupyter-notebook
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