REST API

Docking

Submit, track, and download AutoDock Vina jobs with auto-reassembled SDF poses.

Submit a job#

POST /v1/docking/jobs

request body

{
  "receptor": "1M17",
  "ligands": ["mol_01HC..."],
  "pocket": "auto",
  "exhaustiveness": 8,
  "num_modes": 9,
  "energy_range": 3.0
}

GET /v1/docking/jobs/{id}

json

{
  "id": "dj_01H...",
  "status": "running",
  "finished_ligands": 42,
  "total_ligands": 137,
  "best_affinity_kcal": -10.4
}

GET /v1/docking/jobs/{id}/results

Returns affinity-sorted results, each with reassembled SDF pose URL.