curl --request POST \
--url https://public-api.revilico.bio/v1/engines/revrelax/runs \
--header 'Authorization: Bearer <token>' \
--header 'Content-Type: application/json' \
--data '
{
"name": "Solvent screen",
"parameters": {
"smiles": "CCO ethanol\nCC(=O)O acetic_acid\nc1ccccc1O phenol",
"settings": {
"solvent": "water"
}
},
"inputs": {}
}
'{
"id": "<string>",
"engine": "<string>",
"name": "<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": {},
"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 RevRelax run
Multi-stage geometry optimisation of up to 50 molecules: a cheap method first, then higher levels of theory, with optional solvent, frequencies, constraints or a transition-state search.
Starts a run and returns it with status queued; poll GET /v1/runs/ until it finishes. Runs spend credits.
Limits: maxMolecules: 50, maxAtoms: 200, maxAtomsCareful: 100, maxAtomsMeticulous: 40, maxSmilesLength: 2000, maxConstraints: 20.
How the engine works and how to read its results: RevRelax documentation.
Scope: runs:write.
curl --request POST \
--url https://public-api.revilico.bio/v1/engines/revrelax/runs \
--header 'Authorization: Bearer <token>' \
--header 'Content-Type: application/json' \
--data '
{
"name": "Solvent screen",
"parameters": {
"smiles": "CCO ethanol\nCC(=O)O acetic_acid\nc1ccccc1O phenol",
"settings": {
"solvent": "water"
}
},
"inputs": {}
}
'{
"id": "<string>",
"engine": "<string>",
"name": "<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": {},
"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
A name for the run, shown in the web app.
200Show child attributes
Show child attributes
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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.
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, results, outputs, files.
Show child attributes
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Set when the run was created but a follow-up step, such as adding it to a project, failed.