Design
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
$ boltz-api small-molecule:design start
POST/compute/v1/small-molecule/design
List small molecule design runs
$ boltz-api small-molecule:design list
GET/compute/v1/small-molecule/design
Get small molecule design run status
$ boltz-api small-molecule:design retrieve
GET/compute/v1/small-molecule/design/{id}
Get generated small molecule designs
$ boltz-api small-molecule:design list-results
GET/compute/v1/small-molecule/design/{id}/results
Stop a running small molecule design run
$ boltz-api small-molecule:design stop
POST/compute/v1/small-molecule/design/{id}/stop
Delete small molecule design run data
$ boltz-api small-molecule:design delete-data
POST/compute/v1/small-molecule/design/{id}/delete-data
Estimate cost for a small molecule design run
$ boltz-api small-molecule:design estimate-cost
POST/compute/v1/small-molecule/design/estimate-cost