parents: data/examples/parents.csv
reagents: data/examples/reagents.csv
reactions: data/examples/reactions.json
property_models: results/validation/property_models
budgets: [0, 1, 2]
max_nodes: 100000
temperature: 0.7
steps: 1200
samples: 1000
seeds: [0]
methods: [uniform, reference_tilt, tb_uniform, dooable, exact]
output: results/molecular_public