# Set these paths to the catalog and chemistry inventory supplied for the study.
parents: data/private/parents.csv.gz
reagents: data/private/reagents.csv
reactions: data/private/reactions.json
parent_limit: 100
reagent_limit: null
budgets: [0, 1, 2]
max_nodes: 100000
property_models: results/validation/property_models
temperature: 0.7
steps: 2000
samples: 10000
seeds: [0, 1, 2, 3, 4]
methods: [uniform, reference_tilt, tb_uniform, dooable, exact]
output: results/enamine_local