Library 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
$ boltz-api small-molecule:library-screen start
POST/compute/v1/small-molecule/library-screen
List small molecule library screens
$ boltz-api small-molecule:library-screen list
GET/compute/v1/small-molecule/library-screen
Get small molecule library screen status
$ boltz-api small-molecule:library-screen retrieve
GET/compute/v1/small-molecule/library-screen/{id}
Get screened small molecule candidates
$ boltz-api small-molecule:library-screen list-results
GET/compute/v1/small-molecule/library-screen/{id}/results
Stop a running small molecule library screen
$ boltz-api small-molecule:library-screen stop
POST/compute/v1/small-molecule/library-screen/{id}/stop
Delete small molecule library screen data
$ boltz-api small-molecule:library-screen delete-data
POST/compute/v1/small-molecule/library-screen/{id}/delete-data
Estimate cost for a small molecule library screen
$ boltz-api small-molecule:library-screen estimate-cost
POST/compute/v1/small-molecule/library-screen/estimate-cost