DrugFlow Skills

Route requests to the correct DrugFlow API flow and execute with minimal ambiguity.

Flow Selection

1. Read references/index.md first.
2. Match user intent to one flow.
3. Load only that flow's reference files.
4. Prefer script execution from scripts/<flow>/ when available.

Current Flows

1. Common APIs: reusable auth/workspace/balance/jobs APIs available.
2. Virtual screening: complete flow available.
3. Docking: complete flow available.
4. ADMET: complete flow available.
5. Rescoring: complete flow available.
6. Structure extract: complete flow available (img2mol backend type).
7. Molecular factory: complete flow available (with atom-selection helpers).