One file, loaded only when a task outgrows the single-complex path in the main recipe.
| File | Responsibility |
|---|---|
workflows.md |
How to build the batch CSV and push a fragment library through it, and how to let DiffDock fold the receptor with ESMFold when only a sequence is available. It also covers reading confidence across a library: the logits are calibrated within one complex, not between ligands, so they are not an affinity ranking. |