openapi: 3.1.0
info:
  title: Boltz Compute Admin Predictions 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: Predictions
paths:
  /compute/v1/predictions/structure-and-binding/{id}:
    get:
      operationId: predictionsStructureAndBindingGet
      summary: Retrieve a structure & binding prediction
      tags:
      - Predictions
      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/predictions/structure-and-binding:
    get:
      operationId: predictionsStructureAndBindingList
      summary: List structure & binding predictions
      tags:
      - Predictions
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
    post:
      operationId: predictionsStructureAndBindingStart
      summary: Start a structure & binding prediction
      tags:
      - Predictions
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/predictions/structure-and-binding/{id}/delete-data:
    post:
      operationId: predictionsStructureAndBindingDeleteData
      summary: Delete data for a structure & binding prediction
      tags:
      - Predictions
      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/predictions/structure-and-binding/estimate-cost:
    post:
      operationId: predictionsStructureAndBindingEstimateCost
      summary: Estimate cost of a structure & binding prediction
      tags:
      - Predictions
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/predictions/adme/{id}:
    get:
      operationId: predictionsAdmeGet
      summary: Retrieve an ADME prediction
      tags:
      - Predictions
      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/predictions/adme:
    get:
      operationId: predictionsAdmeList
      summary: List ADME predictions
      tags:
      - Predictions
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
    post:
      operationId: predictionsAdmeStart
      summary: Start an ADME prediction
      tags:
      - Predictions
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      requestBody:
        content:
          application/json:
            schema:
              type: object
  /compute/v1/predictions/adme/{id}/delete-data:
    post:
      operationId: predictionsAdmeDeleteData
      summary: Delete data for an ADME prediction
      tags:
      - Predictions
      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/predictions/adme/estimate-cost:
    post:
      operationId: predictionsAdmeEstimateCost
      summary: Estimate cost of an ADME prediction
      tags:
      - Predictions
      responses:
        '200':
          description: Success
        '401':
          description: Unauthorized
        '404':
          description: Not found
        '429':
          description: Rate limited
      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.'