/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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