assigning compounds to structural classes
use
git clone https://github.com/ontochem/chemistry_assignment.git
to get Maven project.
java option: -Xmx12000m
program VM argument example:
-m Ambit -t 12 -c /Users/lweber/Desktop/assignment/oc_chem_classes_ext_2023-11-20.obo -s /Users/lweber/Desktop/assignment/pfas_a_uniq.csv -o /Users/lweber/Desktop/assignment/assignmentResults -a parents -app -ter -sta /Users/lweber/Desktop/assignment/statistics.tsv -start 1 -end 1000