Documentation · Benchmarks and validation
Scientific benchmarks, method by method.
Each study records the dataset, pinned protocol, evaluation metrics, results, limitations, and the materials needed to reproduce the analysis.
Molecular docking
A worked Astex Diverse redocking example compares AutoDock Vina and Vinardo across 85 protein–ligand complexes.
Planned method pages
Molecular dynamics, binding affinity, free energy, and quantum chemistry pages are scaffolded for future audited results.