SyGMa Metabolites

Predict metabolites from parent molecules using Sygma ( https://github.com/3D-e-Chem/sygma ).

Resolving "'sygma' Python package not found" error

This node requires the ' sygma ' Python package.

If the sygma Python package was not installed then go to https://github.com/3D-e-Chem/sygma#installation and follow the installation instructions. To test if the package is installed run sygma --version on the command line, it should print a version number if installed.

Input ports

1. Type: Table
   Parents
   Parent molecules

Output ports

1. Type: Table
   Predictions
   Predicted metabolites