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MolecularAI / aizynthfinder

A tool for retrosynthetic planning
https://molecularai.github.io/aizynthfinder/
MIT License
588 stars 134 forks source link

Interpret results using python #167

Open dnapolren opened 1 week ago

dnapolren commented 1 week ago

Hi,

I am a new user of Python. I got the following results for my query.

image

Why doesn't the query "finder.build_routes() stats = finder.extract_statistics()" not bring back any results. How do I visualize the same. Kindly guide. Excuse my naivity.

Vishal

SGenheden commented 6 days ago

I am not actually sure what you are trying to do, but from the screen dump of your notebook, you have a cell 12 that tries to build routes and extract statistics before the cell (no. 14) that executes the search. You first have to execute search and then build the routes and extract the statistics. See here: https://molecularai.github.io/aizynthfinder/python_interface.html