> ## Documentation Index
> Fetch the complete documentation index at: https://docs.revilico.bio/llms.txt
> Use this file to discover all available pages before exploring further.

# Start a RevRedox run

> Oxidation and reduction potentials of one molecule against a chosen reference electrode, from optimised neutral, cation and anion species.

Starts a run and returns it with status `queued`; poll GET /v1/runs/{runId} until it finishes. Runs spend credits.

**Limits:** `maxMoleculeBytes`: 131072, `minCharge`: -10, `maxCharge`: 10.

How the engine works and how to read its results: [RevRedox documentation](/docs/revredox).

**Scope:** `runs:write`.



## OpenAPI

````yaml /api-reference/openapi.json post /v1/engines/revredox/runs
openapi: 3.1.0
info:
  title: Revilico API
  version: 1.0.0
  description: >-
    Run Revilico's computational chemistry and biology engines from your own
    code: upload input files, start runs, follow them and read their results.
servers:
  - url: https://public-api.revilico.bio
security:
  - bearerAuth: []
tags:
  - name: Account
    description: Who you are, your credits and what your runs have used.
  - name: Engines
    description: The engines you can run, their parameter schemas and examples.
  - name: Files
    description: 'Upload input files: create an upload, then PUT the bytes.'
  - name: Runs
    description: Start, follow and cancel engine runs.
  - name: Results and outputs
    description: 'Read what a run produced: results, files and outputs.'
  - name: Projects
    description: Group runs into the projects you see in the web app.
  - name: Engine runs
    description: >-
      Start a run of one engine, with that engine's parameters and input files.
      Same endpoint as **Start a run**.
  - name: Health
    description: Service status. Needs no API key.
paths:
  /v1/engines/revredox/runs:
    post:
      tags:
        - Engine runs
      summary: Start a RevRedox run
      description: >-
        Oxidation and reduction potentials of one molecule against a chosen
        reference electrode, from optimised neutral, cation and anion species.


        Starts a run and returns it with status `queued`; poll GET
        /v1/runs/{runId} until it finishes. Runs spend credits.


        **Limits:** `maxMoleculeBytes`: 131072, `minCharge`: -10, `maxCharge`:
        10.


        How the engine works and how to read its results: [RevRedox
        documentation](/docs/revredox).


        **Scope:** `runs:write`.
      operationId: engineRuns.revredox
      requestBody:
        required: true
        content:
          application/json:
            schema:
              type: object
              properties:
                name:
                  description: A name for the run, shown in the web app.
                  type: string
                  maxLength: 200
                parameters:
                  type: object
                  properties:
                    molecule:
                      description: >-
                        The molecule as text: a SMILES, or an XYZ block when
                        molecule_format is "xyz". Alternative to the structure
                        input file.
                      type: string
                      minLength: 1
                      maxLength: 131072
                    molecule_format:
                      description: >-
                        Format of parameters.molecule. Defaults to smiles; for a
                        file it is taken from the extension.
                      type: string
                      enum:
                        - smiles
                        - xyz
                    charge:
                      default: 0
                      description: Charge of the starting (neutral-reference) species.
                      type: integer
                      minimum: -10
                      maximum: 10
                    multiplicity:
                      default: 1
                      type: integer
                      minimum: 1
                      maximum: 11
                    directions:
                      default:
                        - oxidation
                        - reduction
                      description: Half-reactions to compute.
                      minItems: 1
                      type: array
                      items:
                        type: string
                        enum:
                          - oxidation
                          - reduction
                    mode:
                      default: rapid
                      description: >-
                        rapid: r²SCAN-3c with COSMO(MeCN) on GFN2-xTB
                        geometries, MAE about 0.32 V against experiment.
                      type: string
                      enum:
                        - rapid
                    reference_electrode:
                      default: SCE
                      description: Electrode the potentials are reported against.
                      type: string
                      enum:
                        - SCE
                        - Fc/Fc+
                        - NHE
                        - SHE
                        - Ag/AgCl
                        - Li/Li+
                  additionalProperties: false
                inputs:
                  type: object
                  properties:
                    structure:
                      type: string
                      description: >-
                        One molecule: an XYZ file, or a SMI file with one
                        SMILES. Alternative to parameters.molecule. A file id
                        (`file_…`). Formats: xyz, smi; up to 128 KB.
                  additionalProperties: false
                budget:
                  description: Most credits the run may spend; it is stopped beyond that.
                  type: number
                  exclusiveMinimum: 0
                projectId:
                  description: >-
                    Add the run to this project (`proj_…`); needs editor or
                    owner on it.
                  type: string
              additionalProperties: false
            examples:
              smiles-defaults:
                summary: >-
                  Oxidation and reduction potentials of phenothiazine against
                  SCE.
                value:
                  name: Phenothiazine redox
                  parameters:
                    molecule: c1ccc2c(c1)Nc1ccccc1S2
                  inputs: {}
              file-oxidation-ferrocene:
                summary: Oxidation potential only, from an XYZ file, against ferrocene.
                value:
                  parameters:
                    directions:
                      - oxidation
                    reference_electrode: Fc/Fc+
                  inputs:
                    structure: file_…
      responses:
        '202':
          description: OK
          content:
            application/json:
              schema:
                $ref: '#/components/schemas/Run'
        '400':
          $ref: '#/components/responses/400'
        '401':
          $ref: '#/components/responses/401'
        '402':
          $ref: '#/components/responses/402'
        '403':
          $ref: '#/components/responses/403'
        '404':
          $ref: '#/components/responses/404'
        '422':
          $ref: '#/components/responses/422'
        '500':
          $ref: '#/components/responses/500'
        '502':
          $ref: '#/components/responses/502'
components:
  schemas:
    Run:
      type: object
      properties:
        id:
          type: string
          description: Run id, `run_…`.
        engine:
          type: string
          description: Engine slug, e.g. `revredox`.
        name:
          type:
            - string
            - 'null'
        status:
          type: string
          enum:
            - queued
            - running
            - succeeded
            - failed
            - cancelled
          description: >-
            queued until the engine picks the run up; succeeded, failed and
            cancelled are final.
        statusReason:
          description: >-
            Why a cancelled run stopped: `user`, `insufficient_credits` or
            `budget_exceeded`. Null otherwise.
          type:
            - string
            - 'null'
        progress:
          type: number
          description: Progress the engine reports; 0 until it reports any.
        createdAt:
          type: string
          format: date-time
        startedAt:
          anyOf:
            - type: string
              format: date-time
            - type: 'null'
        endedAt:
          anyOf:
            - type: string
              format: date-time
            - type: 'null'
        budget:
          description: Most credits the run may spend, if one was set.
          type:
            - number
            - 'null'
        creditsUsed:
          type: number
          description: Credits charged to the run so far.
        error:
          anyOf:
            - type: object
              properties:
                message:
                  type: string
              required:
                - message
            - type: 'null'
          description: Set when status is failed.
        links:
          type: object
          propertyNames:
            type: string
          additionalProperties:
            type: string
          description: 'Related endpoints: self, inputs, results, outputs, files.'
        warnings:
          description: >-
            Set when the run was created but a follow-up step, such as adding it
            to a project, failed.
          type: array
          items:
            type: string
      required:
        - id
        - engine
        - name
        - status
        - statusReason
        - progress
        - createdAt
        - startedAt
        - endedAt
        - budget
        - creditsUsed
        - error
        - links
    Error:
      type: object
      properties:
        error:
          type: object
          properties:
            code:
              type: string
              enum:
                - VALIDATION_FAILED
                - INVALID_ID
                - INVALID_PARAMETERS
                - INPUT_LIMIT_EXCEEDED
                - NOT_FOUND
                - FORBIDDEN
                - METHOD_NOT_ALLOWED
                - CONFLICT
                - PAYLOAD_TOO_LARGE
                - MISSING_CREDENTIALS
                - INVALID_CREDENTIALS
                - WRONG_ENVIRONMENT
                - CREDENTIALS_EXPIRED
                - CREDENTIALS_REVOKED
                - ACCOUNT_INACTIVE
                - API_ACCESS_NOT_ENABLED
                - INSUFFICIENT_SCOPE
                - SESSION_REQUIRED
                - TOO_MANY_AUTH_FAILURES
                - API_KEY_LIMIT_REACHED
                - ENGINE_NOT_ENABLED
                - DOCS_NOT_AVAILABLE
                - INSUFFICIENT_CREDITS
                - RUN_NOT_COMPLETE
                - ENGINE_SUBMIT_FAILED
                - RATE_LIMITED
                - SERVICE_UNAVAILABLE
                - INTERNAL_ERROR
              description: Stable within /v1; branch on this, not on the message.
            message:
              type: string
              description: Readable explanation, for people.
            details:
              description: >-
                Extra context, e.g. `issues` ({ path, message }[]) for
                validation errors.
              type: object
              propertyNames:
                type: string
              additionalProperties: {}
          required:
            - code
            - message
      required:
        - error
  responses:
    '400':
      description: >-
        The request is malformed. `error.code` is one of `VALIDATION_FAILED`,
        `INVALID_ID`.
      content:
        application/json:
          schema:
            $ref: '#/components/schemas/Error'
          example:
            error:
              code: VALIDATION_FAILED
              message: The request is malformed.
    '401':
      description: >-
        The API key is missing or not valid. `error.code` is one of
        `MISSING_CREDENTIALS`, `INVALID_CREDENTIALS`, `WRONG_ENVIRONMENT`,
        `CREDENTIALS_EXPIRED`, `CREDENTIALS_REVOKED`.
      content:
        application/json:
          schema:
            $ref: '#/components/schemas/Error'
          example:
            error:
              code: MISSING_CREDENTIALS
              message: The API key is missing or not valid.
    '402':
      description: >-
        Your organization doesn't have enough credits. `error.code` is one of
        `INSUFFICIENT_CREDITS`.
      content:
        application/json:
          schema:
            $ref: '#/components/schemas/Error'
          example:
            error:
              code: INSUFFICIENT_CREDITS
              message: Your organization doesn't have enough credits.
    '403':
      description: >-
        The key may not do this. `error.code` is one of `INSUFFICIENT_SCOPE`,
        `API_ACCESS_NOT_ENABLED`, `ENGINE_NOT_ENABLED`, `ACCOUNT_INACTIVE`,
        `FORBIDDEN`.
      content:
        application/json:
          schema:
            $ref: '#/components/schemas/Error'
          example:
            error:
              code: INSUFFICIENT_SCOPE
              message: The key may not do this.
    '404':
      description: Not found, or not visible to you. `error.code` is one of `NOT_FOUND`.
      content:
        application/json:
          schema:
            $ref: '#/components/schemas/Error'
          example:
            error:
              code: NOT_FOUND
              message: Not found, or not visible to you.
    '422':
      description: >-
        The parameters or input files don't fit the engine. `error.code` is one
        of `INVALID_PARAMETERS`, `INPUT_LIMIT_EXCEEDED`.
      content:
        application/json:
          schema:
            $ref: '#/components/schemas/Error'
          example:
            error:
              code: INVALID_PARAMETERS
              message: The parameters or input files don't fit the engine.
    '500':
      description: >-
        Something went wrong on our side. `error.code` is one of
        `INTERNAL_ERROR`.
      content:
        application/json:
          schema:
            $ref: '#/components/schemas/Error'
          example:
            error:
              code: INTERNAL_ERROR
              message: Something went wrong on our side.
    '502':
      description: >-
        The engine service rejected or failed the request. `error.code` is one
        of `ENGINE_SUBMIT_FAILED`.
      content:
        application/json:
          schema:
            $ref: '#/components/schemas/Error'
          example:
            error:
              code: ENGINE_SUBMIT_FAILED
              message: The engine service rejected or failed the request.
  securitySchemes:
    bearerAuth:
      type: http
      scheme: bearer
      description: >-
        An API key from the web app (**Settings → Developer**), sent as
        `Authorization: Bearer rvl_live_…`.

````

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