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macropka.py•330 B
import rowan
# Set ROWAN_API_KEY environment variable to your API key or set rowan.api_key directly
# rowan.api_key = "rowan-sk..."
result = rowan.submit_macropka_workflow(
# oseltamivir
initial_smiles="C1CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]([NH3+])C1CCC1",
name="Oseltamivir macropka",
)
print(result)