PaRoutes: a framework for benchmarking retrosynthesis route predictions

<p>PaRoutes is a framework for benchmarking multi-step retrosynthesis methods, i.e. route predictions.</p> <p>It provides:</p> <ul> <li>A curated reaction dataset for building one-step retrosynthesis models</li> <li>Two sets of 10,000 routes</li> <li>Two sets of stock molecules to use as stop-criterion for the search</li> </ul> <p>Homepage:&nbsp;<a href="https://github.com/MolecularAI/PaRoutes">https://github.com/MolecularAI/PaRoutes</a></p>