> ## 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 RevDenovo run > Generates new drug-like molecules with a generative model: from scratch, by adding side groups to a scaffold, by linking two fragments, as variants of given molecules, or as peptides. Can use a model you trained on your own molecules with RevTrain. Starts a run and returns it with status `queued`; poll GET /v1/runs/{runId} until it finishes. Runs spend credits. **Limits:** `maxInputMolecules`: 1000, `maxMolecules`: 100000, `maxMol2molMoleculesPerInput`: 1000. How the engine works and how to read its results: [RevDenovo documentation](/docs/revdenovo). **Scope:** `runs:write`. ## OpenAPI ````yaml /api-reference/openapi.json post /v1/engines/revdenovo/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: Sharing description: >- Share runs with people in your organization, as in the web app's Pipeline sharing. - name: Notes description: >- RevNotes: read, write and share the rich-text notes and note folders of the web app's RevNotes panel, in markdown or HTML. - name: Drive description: >- Your RevDrive files and shared drives, as in the web app: browse, read, use files as run inputs, save outputs, and organize. Ids: `dfile_…` and `dfld_…` in a personal Drive, `drive_…` for a shared drive, `sdfile_…` and `sdfld_…` in one. - 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/revdenovo/runs: post: tags: - Engine runs summary: Start a RevDenovo run description: >- Generates new drug-like molecules with a generative model: from scratch, by adding side groups to a scaffold, by linking two fragments, as variants of given molecules, or as peptides. Can use a model you trained on your own molecules with RevTrain. Starts a run and returns it with status `queued`; poll GET /v1/runs/{runId} until it finishes. Runs spend credits. **Limits:** `maxInputMolecules`: 1000, `maxMolecules`: 100000, `maxMol2molMoleculesPerInput`: 1000. How the engine works and how to read its results: [RevDenovo documentation](/docs/revdenovo). **Scope:** `runs:write`. operationId: engineRuns.revdenovo 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: generator: default: reinvent description: >- How molecules are made. reinvent: from scratch, no input molecules. libinvent: adds side groups to the given scaffolds. linkinvent: joins two given fragments with a new linker. mol2mol: makes variants of the given molecules. pepinvent: fills the masked positions of the given peptides. type: string enum: - reinvent - libinvent - linkinvent - mol2mol - pepinvent input_smiles: default: [] description: >- Input molecules, one per item; needed for every generator except reinvent, which takes none. libinvent: a scaffold with numbered attachment points, e.g. [*:0]Cc1ccc(C[*:1])cc1. linkinvent: two fragments separated by |, each with one * where the linker attaches, e.g. Oc1cncc(*)c1|*c1ccoc1. mol2mol: the SMILES of a starting molecule. pepinvent: a peptide in CHUCKLES notation, amino acids separated by | and ? at each position to fill. maxItems: 1000 type: array items: type: string pattern: ^[!-~]{1,1000}$ num_molecules: default: 100 description: >- How many molecules to generate: in total for reinvent, per input molecule for the other generators (mol2mol: at most 1,000 per input; at most 100,000 in total). Only valid, unique molecules are kept, so a run can return fewer. type: integer minimum: 1 maximum: 100000 model: description: >- Built-in model to generate with; defaults to the generator's own (for mol2mol, mol2mol_similarity). mol2mol has six: mol2mol_similarity (loosest resemblance, new chemical series), mol2mol_medium_similarity, mol2mol_high_similarity (closest analogs), mol2mol_mmp (the small swaps medicinal chemists typically make), mol2mol_scaffold (new core, same side groups) and mol2mol_scaffold_generic (broader core changes). type: string enum: - reinvent - libinvent - linkinvent - mol2mol_similarity - mol2mol_medium_similarity - mol2mol_high_similarity - mol2mol_mmp - mol2mol_scaffold - mol2mol_scaffold_generic - pepinvent trained_model_run: description: >- Instead of a built-in model: the run_… id of one of your succeeded RevTrain runs. Only for generator reinvent or mol2mol, the same generator the model was trained for. type: string pattern: >- ^run_[0-9a-f]{8}-[0-9a-f]{4}-[0-9a-f]{4}-[0-9a-f]{4}-[0-9a-f]{12}$ sampling_strategy: default: multinomial description: >- mol2mol and pepinvent only. multinomial samples with some randomness; beamsearch returns the most likely molecules, repeatable and less varied. type: string enum: - multinomial - beamsearch temperature: default: 1 description: >- mol2mol and pepinvent with multinomial sampling only. Higher gives more varied, more novel molecules and fewer valid ones: 0.7 close analogs, 1 balanced, 1.3 most adventurous. type: number enum: - 0.7 - 0.85 - 1 - 1.15 - 1.3 additionalProperties: false inputs: type: object properties: {} 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: defaults: summary: Generate 100 drug-like molecules from scratch. value: name: De novo library parameters: {} inputs: {} analogs: summary: >- Make close variants of a lead molecule (celecoxib) with the high-similarity model. value: name: Celecoxib analogs parameters: generator: mol2mol model: mol2mol_high_similarity input_smiles: - Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 num_molecules: 200 temperature: 0.85 inputs: {} scaffold-decoration: summary: Add side groups at the two marked points of a scaffold. value: parameters: generator: libinvent input_smiles: - '[*:0]Cc2ccc1cncc(C[*:1])c1c2' num_molecules: 500 inputs: {} trained-model: summary: >- Generate from scratch with a model you fine-tuned on your own molecules with RevTrain. value: name: Series A focused library parameters: trained_model_run: run_00000000-0000-0000-0000-000000000000 num_molecules: 1000 inputs: {} 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' access: type: string enum: - owner - shared - project description: >- 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: type: object properties: name: type: - string - 'null' email: type: string required: - name - email description: Who started the run. 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. children: type: object properties: total: type: number queued: type: number running: type: number succeeded: type: number failed: type: number cancelled: type: number required: - total - queued - running - succeeded - failed - cancelled description: >- For engines that run each input as its own job: how many children are in each status. GET /v1/runs/{runId}/children lists them. links: type: object propertyNames: type: string additionalProperties: type: string description: >- Related endpoints: self, inputs (owner only), 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 - access - owner - 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_…`. ```` This documentation is built and hosted on [Mintlify](https://mintlify.com), a developer documentation platform.