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MolecularAI/aizynthfinder

Reaction informatics and synthesisGitHubsource codeastrazenecachemical-reactionscheminformaticsmonte-carlo-tree-searchneural-networksreaction-informatics

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A tool for retrosynthetic planning

Why it is useful: Reaction informatics and synthesis repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.

GitHub signals: 847 stars, 178 forks, primary language: Python.
Homepage: https://molecularai.github.io/aizynthfinder/

Citation: GitHub repository: MolecularAI/aizynthfinder

TypeCode

DomainReaction informatics and synthesis

LicenseMIT

ContributorsMolecularAI