Molecular docking skill. AutoDock Vina/SMINA docking simulations, binding pose prediction, scoring function evaluation, virtual screening, and protein-ligand interaction analysis.
Molecular docking skill. AutoDock Vina/SMINA docking simulations, binding pose prediction, scoring function evaluation, virtual screening, and protein-ligand interaction analysis.
logs/process-log.jsonl.report.md: concise method, results, interpretation, and file inventory in the user's language.results/: structured outputs, metrics, model artifacts, or extracted findings.figures/: English-only charts, diagrams, or panels when visual output is needed.data/: processed or derived datasets when transformation occurs.report.md and logs/process-log.jsonl reference the generated artifacts.