curl --request POST \
--url https://public-api.revilico.bio/v1/engines/revscreen/runs \
--header 'Authorization: Bearer <token>' \
--header 'Content-Type: application/json' \
--data '
{
"name": "EGFR fragment screen",
"parameters": {
"mode": "static",
"box": {
"center": [
12.4,
-3.1,
22.8
],
"size": [
22,
22,
22
]
}
},
"inputs": {
"protein": "file_…",
"ligands": "file_…"
}
}
'{
"id": "<string>",
"engine": "<string>",
"name": "<string>",
"access": "owner",
"owner": {
"name": "<string>",
"email": "<string>"
},
"status": "queued",
"statusReason": "<string>",
"progress": 123,
"createdAt": "2023-11-07T05:31:56Z",
"startedAt": "2023-11-07T05:31:56Z",
"endedAt": "2023-11-07T05:31:56Z",
"budget": 123,
"creditsUsed": 123,
"error": {
"message": "<string>"
},
"links": {},
"children": {
"total": 123,
"queued": 123,
"running": 123,
"succeeded": 123,
"failed": 123,
"cancelled": 123
},
"warnings": [
"<string>"
]
}{
"error": {
"code": "VALIDATION_FAILED",
"message": "The request is malformed."
}
}{
"error": {
"code": "MISSING_CREDENTIALS",
"message": "The API key is missing or not valid."
}
}{
"error": {
"code": "INSUFFICIENT_CREDITS",
"message": "Your organization doesn't have enough credits."
}
}{
"error": {
"code": "INSUFFICIENT_SCOPE",
"message": "The key may not do this."
}
}{
"error": {
"code": "NOT_FOUND",
"message": "Not found, or not visible to you."
}
}{
"error": {
"code": "INVALID_PARAMETERS",
"message": "The parameters or input files don't fit the engine."
}
}{
"error": {
"code": "INTERNAL_ERROR",
"message": "Something went wrong on our side."
}
}{
"error": {
"code": "ENGINE_SUBMIT_FAILED",
"message": "The engine service rejected or failed the request."
}
}Start a RevScreen run
Docks a library of small molecules (up to 10,000 per run) into a protein’s binding pocket and ranks them by predicted binding strength: virtual screening with AutoDock Vina. static mode holds the protein rigid and is fast; flexible mode lets chosen pocket side chains move and can dock against several protein structures, at a much higher cost per molecule. Each molecule’s best poses are kept as files. Progress is not reported while the run works: it shows started, then finished.
Starts a run and returns it with status queued; poll GET /v1/runs/ until it finishes. Runs spend credits.
Limits: maxMolecules: 10000, maxInlineSmiles: 1000, maxSmilesLength: 500, maxStaticBoxSize: 30, maxFlexibleBoxSize: 80, maxReceptors: 10, maxFlexibleResidues: 20, maxExhaustiveness: 64.
How the engine works and how to read its results: RevScreen documentation.
Scope: runs:write.
curl --request POST \
--url https://public-api.revilico.bio/v1/engines/revscreen/runs \
--header 'Authorization: Bearer <token>' \
--header 'Content-Type: application/json' \
--data '
{
"name": "EGFR fragment screen",
"parameters": {
"mode": "static",
"box": {
"center": [
12.4,
-3.1,
22.8
],
"size": [
22,
22,
22
]
}
},
"inputs": {
"protein": "file_…",
"ligands": "file_…"
}
}
'{
"id": "<string>",
"engine": "<string>",
"name": "<string>",
"access": "owner",
"owner": {
"name": "<string>",
"email": "<string>"
},
"status": "queued",
"statusReason": "<string>",
"progress": 123,
"createdAt": "2023-11-07T05:31:56Z",
"startedAt": "2023-11-07T05:31:56Z",
"endedAt": "2023-11-07T05:31:56Z",
"budget": 123,
"creditsUsed": 123,
"error": {
"message": "<string>"
},
"links": {},
"children": {
"total": 123,
"queued": 123,
"running": 123,
"succeeded": 123,
"failed": 123,
"cancelled": 123
},
"warnings": [
"<string>"
]
}{
"error": {
"code": "VALIDATION_FAILED",
"message": "The request is malformed."
}
}{
"error": {
"code": "MISSING_CREDENTIALS",
"message": "The API key is missing or not valid."
}
}{
"error": {
"code": "INSUFFICIENT_CREDITS",
"message": "Your organization doesn't have enough credits."
}
}{
"error": {
"code": "INSUFFICIENT_SCOPE",
"message": "The key may not do this."
}
}{
"error": {
"code": "NOT_FOUND",
"message": "Not found, or not visible to you."
}
}{
"error": {
"code": "INVALID_PARAMETERS",
"message": "The parameters or input files don't fit the engine."
}
}{
"error": {
"code": "INTERNAL_ERROR",
"message": "Something went wrong on our side."
}
}{
"error": {
"code": "ENGINE_SUBMIT_FAILED",
"message": "The engine service rejected or failed the request."
}
}Authorizations
An API key from the web app (Settings → Developer), sent as Authorization: Bearer rvl_live_….
Body
Show child attributes
Show child attributes
A name for the run, shown in the web app.
200Show child attributes
Show child attributes
Most credits the run may spend; it is stopped beyond that.
Add the run to this project (proj_…); needs editor or owner on it.
Response
OK
Run id, run_….
Engine slug, e.g. revredox.
Why you can see the run: you started it, it was shared with you, or it is in a project you belong to. Only the owner can cancel it or read its inputs.
owner, shared, project Who started the run.
Show child attributes
Show child attributes
queued until the engine picks the run up; succeeded, failed and cancelled are final.
queued, running, succeeded, failed, cancelled Why a cancelled run stopped: user, insufficient_credits or budget_exceeded. Null otherwise.
Progress the engine reports; 0 until it reports any.
Most credits the run may spend, if one was set.
Credits charged to the run so far.
Set when status is failed.
Show child attributes
Show child attributes
Related endpoints: self, inputs (owner only), results, outputs, files.
Show child attributes
Show child attributes
For engines that run each input as its own job: how many children are in each status. GET /v1/runs/{runId}/children lists them.
Show child attributes
Show child attributes
Set when the run was created but a follow-up step, such as adding it to a project, failed.