/tools/PaRoutes

PaRoutes

MolecularAI/PaRoutes

85 stars12 forksPythonAdded February 5, 2026
summary

PaRoutes is a framework that benchmarks multi-step retrosynthesis methods, providing curated datasets for building retrosynthesis models. It includes scripts for analyzing route quality and diversity, making it a valuable resource for researchers in molecular design.

description

Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.

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