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Navigating the labyrinth of synthesis planning

CI Python Version pypi code style License

Syntheseus is a package for end-to-end retrosynthetic planning.

  • โš’๏ธ Combines search algorithms and reaction models in a standardized way
  • ๐Ÿงญ Includes implementations of common search algorithms
  • ๐Ÿงช Includes wrappers for state-of-the-art reaction models
  • โš™๏ธ Exposes a simple API to plug in custom models and algorithms
  • ๐Ÿ“ˆ Can be used to benchmark components of a retrosynthesis pipeline