Boltz

Boltz Small Molecule API

The Small Molecule API from Boltz — 14 operation(s) for small molecule.

GitHub OpenAPI

Operations 16

GET /compute/v1/small-molecule/design/{id} Retrieve a design job #
GET /compute/v1/small-molecule/design List design jobs #
POST /compute/v1/small-molecule/design Start a design job #
POST /compute/v1/small-molecule/design/{id}/delete-data Delete data for a design job #
POST /compute/v1/small-molecule/design/estimate-cost Estimate cost of a design job #
GET /compute/v1/small-molecule/design/{id}/results List results for a design job #
POST /compute/v1/small-molecule/design/{id}/resume Resume a design job #
POST /compute/v1/small-molecule/design/{id}/stop Stop a design job #
GET /compute/v1/small-molecule/library-screen/{id} Retrieve a library screen #
GET /compute/v1/small-molecule/library-screen List library screens #
POST /compute/v1/small-molecule/library-screen Start a library screen #
POST /compute/v1/small-molecule/library-screen/{id}/delete-data Delete data for a library screen #
POST /compute/v1/small-molecule/library-screen/estimate-cost Estimate cost of a library screen #
GET /compute/v1/small-molecule/library-screen/{id}/results List results for a library screen #
POST /compute/v1/small-molecule/library-screen/{id}/resume Resume a library screen #
POST /compute/v1/small-molecule/library-screen/{id}/stop Stop a library screen #

Documentation

📖
APIReference
https://api.boltz.bio/docs
📖
Documentation
https://docs.boltz.bio
📖
Authentication
https://raw.githubusercontent.com/api-evangelist/boltz/refs/heads/main/authentication/boltz-authentication.yml

Specifications

⚙
OpenAPI
https://raw.githubusercontent.com/api-evangelist/boltz/refs/heads/main/openapi/boltz-small-molecule-api-openapi.yml

Work with this as data

Every API here is available over the APIs.io API and to AI agents over MCP.

MCP server

One button, every client — Claude, Cursor, VS Code and the rest.

https://apis.io/mcp

Tools for apis

7 MCP tools reach this
  • find_apisBrowse and filter every API in the catalog.
  • get_api_artifactsOne API's artifacts, grouped by type.
  • get_openapiThe primary OpenAPI for this API.
  • find_similar_apisAPIs that look like this one.
  • apis_io_searchSTART HERE — APIs, providers and tags for one query, each with its total.
  • resolveTurn a domain, URL or GitHub org into the provider it belongs to.
  • find_cohortsEvery scored population of providers in the catalog.
All 92 tools →

Call it yourself

curl for this page
This API 
curl "https://apis.io/api/v1/apis/boltz-small-molecule-api"
All apis 
curl "https://apis.io/api/v1/apis?limit=25"

Discovery needs no key. Ratings and market analysis are Pro.

Get an API key

Free tier, no email required.

GitHub Google LinkedIn

A second provider on the same verified email joins the account you already have.

OpenAPI Specification

boltz-small-molecule-api-openapi.yml Raw ↑ 
openapi: 3.2.0
info:
  title: Boltz Compute Admin Small Molecule API
  version: v1
  description: Boltz Compute API - biomolecular structure & binding prediction, ADME prediction, and generative small-molecule and protein design as asynchronous compute jobs. Operation surface derived from the official Boltz SDKs (boltz-bio/boltz-api-go); request/response schemas are not published by Boltz and are intentionally left generic.
  contact:
    name: Boltz PBC
    email: contact@boltz.bio
    url: https://boltz.bio
  license:
    name: Proprietary
    url: https://docs.boltz.bio/terms-of-service/terms-of-service
servers:
- url: https://api.boltz.bio
  description: Production
security:
- bearerAuth: []
tags:
- name: Small Molecule
paths:
  /compute/v1/small-molecule/design/{id}:
    get:
      operationId: smallMoleculeDesignGet
      summary: Retrieve a design job
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      parameters:
      - name: id
        in: path
        required: true
        schema:
          type: string
  /compute/v1/small-molecule/design:
    get:
      operationId: smallMoleculeDesignList
      summary: List design jobs
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
    post:
      operationId: smallMoleculeDesignStart
      summary: Start a design job
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/small-molecule/design/{id}/delete-data:
    post:
      operationId: smallMoleculeDesignDeleteData
      summary: Delete data for a design job
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      parameters:
      - name: id
        in: path
        required: true
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/small-molecule/design/estimate-cost:
    post:
      operationId: smallMoleculeDesignEstimateCost
      summary: Estimate cost of a design job
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/small-molecule/design/{id}/results:
    get:
      operationId: smallMoleculeDesignListResults
      summary: List results for a design job
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      parameters:
      - name: id
        in: path
        required: true
        schema:
          type: string
  /compute/v1/small-molecule/design/{id}/resume:
    post:
      operationId: smallMoleculeDesignResume
      summary: Resume a design job
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      parameters:
      - name: id
        in: path
        required: true
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/small-molecule/design/{id}/stop:
    post:
      operationId: smallMoleculeDesignStop
      summary: Stop a design job
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      parameters:
      - name: id
        in: path
        required: true
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/small-molecule/library-screen/{id}:
    get:
      operationId: smallMoleculeLibraryScreenGet
      summary: Retrieve a library screen
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      parameters:
      - name: id
        in: path
        required: true
        schema:
          type: string
  /compute/v1/small-molecule/library-screen:
    get:
      operationId: smallMoleculeLibraryScreenList
      summary: List library screens
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
    post:
      operationId: smallMoleculeLibraryScreenStart
      summary: Start a library screen
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/small-molecule/library-screen/{id}/delete-data:
    post:
      operationId: smallMoleculeLibraryScreenDeleteData
      summary: Delete data for a library screen
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      parameters:
      - name: id
        in: path
        required: true
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/small-molecule/library-screen/estimate-cost:
    post:
      operationId: smallMoleculeLibraryScreenEstimateCost
      summary: Estimate cost of a library screen
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/small-molecule/library-screen/{id}/results:
    get:
      operationId: smallMoleculeLibraryScreenListResults
      summary: List results for a library screen
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      parameters:
      - name: id
        in: path
        required: true
        schema:
          type: string
  /compute/v1/small-molecule/library-screen/{id}/resume:
    post:
      operationId: smallMoleculeLibraryScreenResume
      summary: Resume a library screen
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      parameters:
      - name: id
        in: path
        required: true
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/small-molecule/library-screen/{id}/stop:
    post:
      operationId: smallMoleculeLibraryScreenStop
      summary: Stop a library screen
      tags:
      - Small Molecule
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      parameters:
      - name: id
        in: path
        required: true
        schema:
          type: string
      requestBody:
        content:
          application/json:
            schema:
              type: object
components:
  securitySchemes:
    bearerAuth:
      type: http
      scheme: bearer
      description: 'Boltz API key or OAuth bearer token sent as Authorization: Bearer <token>. OAuth callers use the X-Boltz-Organization-Id header to select an organization.'