← Về thư mục
- setup_finder · function · L8-L16 — def setup_finder(config_path, expansion_policy, stock, filter_policy=None)
- run_retrosynthesis_single · function · L19-L41 — def run_retrosynthesis_single(finder, smi, iteration_limit=100, time_limit=120)
- classify_feasibility · function · L44-L56 — def classify_feasibility(routes, short_route_max_steps=None)
- batch_screen · function · L59-L110 — def batch_screen( target_smiles_list, config_path, expansion_policy, stock, filter_policy=None, iteration_limit=100, short_route_max_steps=None, )