API Reference
Libraries
API Overview
Predictions
Run prediction models on molecular inputs. Each application is available as its own endpoint with application-specific inputs and outputs.
PredictionsStructure And Binding
Predict 3D structure coordinates, per-residue confidence scores, and binding metrics for a molecular complex.
Start a structure and binding prediction
List structure and binding predictions
Retrieve a structure and binding prediction
Delete prediction data
Estimate cost for a structure and binding prediction
Small Molecule
Small Molecule Engine — design novel small molecules and screen compound libraries against protein targets. Includes de novo generation and virtual screening.
Small MoleculeDesign
Generate novel small molecules optimized for binding to a protein target. Results are scored by binding confidence (likelihood of binding, for hit discovery), optimization score (binding strength ranking, for lead optimization), and structure confidence.
Start a small molecule de novo design run
List small molecule design runs
Get small molecule design run status
Get generated small molecule designs
Stop a running small molecule design run
Delete small molecule design run data
Estimate cost for a small molecule design run
Small MoleculeLibrary Screen
Screen an existing library of small molecules against a protein target. Results are scored by binding confidence (likelihood of binding, for hit discovery), optimization score (binding strength ranking, for lead optimization), and structure confidence.
Start a small molecule library screen
List small molecule library screens
Get small molecule library screen status
Get screened small molecule candidates
Stop a running small molecule library screen
Delete small molecule library screen data
Estimate cost for a small molecule library screen
Protein
Protein Engine — design novel protein binders and screen protein libraries against targets. Includes de novo protein design and library screening.
ProteinDesign
Generate novel protein binders optimized for binding to a target structure. Binder specifications can be provided directly, uploaded as structure templates, or selected from Boltz-managed curated nanobody and antibody defaults. Results are scored by binding confidence (likelihood of protein-protein interaction) and structure confidence.
Start a protein de novo design run
List protein design runs
Get protein design run status
Get generated protein designs
Stop a running protein design run
Delete protein design run data
Estimate cost for a protein design run
ProteinLibrary Screen
Screen an existing library of proteins against a target structure. Results are scored by binding confidence (likelihood of protein-protein interaction) and structure confidence.
Start a protein library screen
List protein library screens
Get protein library screen status
Get screened protein candidates
Stop a running protein library screen
Delete protein library screen data
Estimate cost for a protein library screen
Admin
Manage workspaces and API keys. Requires an admin API key. Admin keys have full access to all management and compute operations across all workspaces in the organization.
AdminWorkspaces
Workspaces provide isolated environments for organizing predictions and engine runs across teams, projects, or customers. Each workspace has independent data retention settings and can be associated with workspace API keys.
Create a workspace
List workspaces
Get a workspace
Update a workspace
Archive a workspace
AdminAPI Keys
API keys authenticate requests to the Boltz API. There are two key types: admin keys have full access to all management and compute operations across the organization, while workspace keys are scoped to a single workspace and can only perform compute operations (predictions, protein design, small molecule design) within that workspace. Keys can be created in live or test mode. Test keys (prefixed sk_bc_*_test_) create test-mode resources with synthetic data and no GPU cost. Every resource includes a livemode field indicating its mode.
Create a workspace API key
List API keys
Revoke an API key
AdminUsage
Retrieve aggregated usage data for the organization. Usage can be grouped by workspace and/or application, and filtered by time range, workspace, and application.
Get usage data
Cli
Check the installed boltz-api CLI version against the currently published CLI release and the minimum version supported by the Boltz API.
CLI version metadata
Auth
Inspect the authentication context for the current credential, including the organization or workspace scope for API keys and the available organization memberships for OAuth bearer tokens. OAuth callers can use this information to choose which organization to send with future requests.