RetroBioCat 2 (rbc2) is a python package for computer-aided synthesis planning in biocatalysis. Version 2 builds on the original RetroBioCat package, creating a more modular and extendable framework allowing for the incorporation of other synthesis planning approaches which can be combined together. This allows for hybrid synthesis planning, for example combining chemistry and biocatalysis.
Unlike the original RetroBioCat package, rbc2 does not feature a web-app element, and is instead designed to be used as soley a python package. This allows for more flexibility in how the package is used.
Please see the documentation for more information.
Documentation - work in progress
- Get CI working
- Add documentation
- Improve and document the interface for the starting material evaluator