/tools/aizynthfinder

aizynthfinder

MolecularAI/aizynthfinder

785 stars167 forksPythonWebsiteAdded February 4, 2026
summary

AiZynthFinder is a Python tool that utilizes Monte Carlo tree search and neural networks for retrosynthetic planning, allowing users to break down complex molecules into purchasable precursors. It supports customizable search algorithms and is aimed at facilitating the design and generation of molecules.

description

A tool for retrosynthetic planning

topics

monte-carlo-tree-searchneural-networkschemical-reactionscheminformaticsreaction-informaticsastrazeneca

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