Pharma & Healthcareoptimization
Protein side-chain packing
Place rotamers for each residue side chain to minimise van der Waals clashes given a fixed backbone. Inner loop of homology modelling and structure refinement.
The same circuit shape and ranking are produced by qlro.recommend_workload("industry.pharma.side_chain_packing") in the Python SDK — useful if you want to automate this in CI / CD.