PaRoutes: a framework for benchmarking retrosynthesis route predictions
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下载链接：
https://zenodo.org/record/6275420
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资源简介：
PaRoutes is a framework for benchmarking multi-step retrosynthesis methods, i.e. route predictions.
It provides:
A curated reaction dataset for building one-step retrosynthesis models
Two sets of 10,000 routes
Two sets of stock molecules to use as stop-criterion for the search
Homepage: https://github.com/MolecularAI/PaRoutes
创建时间：
2022-02-25
