This folder contains the code used to generate the GNPS-MIBiG mapping that Rosetta uses to score links.

mibig_gnps_merge.ipynb : The Jupyter notebook used to build the data file used by Rosetta. Relies on having database dumps of GNPS and MIBiG with InChI structural info.
mibig_gnps_merge.py    : The code from the notebook, extracted into a plain text file.
