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
small_molecule.library_screen.start(LibraryScreenStartParams**kwargs) -> LibraryScreenStartResponse
POST/compute/v1/small-molecule/library-screen
List small molecule library screens
small_molecule.library_screen.list(LibraryScreenListParams**kwargs) -> SyncCursorPage[LibraryScreenListResponse]
GET/compute/v1/small-molecule/library-screen
Get small molecule library screen status
small_molecule.library_screen.retrieve(strid, LibraryScreenRetrieveParams**kwargs) -> LibraryScreenRetrieveResponse
GET/compute/v1/small-molecule/library-screen/{id}
Get screened small molecule candidates
small_molecule.library_screen.list_results(strid, LibraryScreenListResultsParams**kwargs) -> SyncCursorPage[LibraryScreenListResultsResponse]
GET/compute/v1/small-molecule/library-screen/{id}/results
Stop a running small molecule library screen
small_molecule.library_screen.stop(strid) -> LibraryScreenStopResponse
POST/compute/v1/small-molecule/library-screen/{id}/stop
Delete small molecule library screen data
small_molecule.library_screen.delete_data(strid) -> LibraryScreenDeleteDataResponse
POST/compute/v1/small-molecule/library-screen/{id}/delete-data
Estimate cost for a small molecule library screen
small_molecule.library_screen.estimate_cost(LibraryScreenEstimateCostParams**kwargs) -> LibraryScreenEstimateCostResponse
POST/compute/v1/small-molecule/library-screen/estimate-cost