/tools/LocalRetro

LocalRetro

kaist-amsg/LocalRetro

108 stars31 forksJupyter NotebookAdded February 8, 2026
summary

LocalRetro is a tool for predicting retrosynthetic pathways for organic molecules using machine learning. It implements a model that derives local reaction templates and predicts reactants based on given products, facilitating the design and generation of new molecules.

description

Retrosynthesis prediction for organic molecules with LocalRetro

topics

machine-learningretrosynthesis

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