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API Reference
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

List small molecule library screens, optionally filtered by workspace

ParametersExpand Collapse
after_id: Optional[str]

Return results after this ID

before_id: Optional[str]

Return results before this ID

limit: Optional[int]

Max items to return. Defaults to 100.

minimum1
maximum100
workspace_id: Optional[str]

Filter by workspace ID. Only used with admin API keys. If not provided, defaults to the workspace associated with the API key, or the default workspace for admin keys.

ReturnsExpand Collapse
class LibraryScreenListResponse: …

Summary of a small molecule library screening pipeline run (excludes input)

id: str

Unique SmScreenSummary identifier

completed_at: Optional[datetime]
formatdate-time
created_at: datetime
formatdate-time
data_deleted_at: Optional[datetime]

When the input, output, and result data was permanently deleted. Null if data has not been deleted.

formatdate-time
Deprecatedengine: Literal["boltzmol"]
Use pipeline instead.

Deprecated. Use pipeline instead.

Deprecatedengine_version: Literal["1.0"]
Use pipeline_version instead.

Deprecated. Use pipeline_version instead.

error: Optional[Error]
code: str

Machine-readable error code

message: str

Human-readable error message

details: Optional[object]

Additional field-level error details keyed by input path, when available.

livemode: bool

Whether this resource was created with a live API key.

pipeline: Literal["boltzmol"]

Pipeline used for small molecule library screen

pipeline_version: Literal["1.0"]

Pipeline version used for small molecule library screen

progress: Optional[Progress]
num_molecules_failed: int

Number of accepted molecules that reached terminal failure during screening.

minimum0
num_molecules_screened: int

Number of accepted molecules that produced usable screening results.

minimum0
total_molecules_to_screen: int

Total number of molecules accepted into screening after server-side validation and filtering.

minimum0
latest_result_id: Optional[str]

ID of the most recently screened result

rejection_summary: Optional[ProgressRejectionSummary]
filtered_count: int

Number of submitted molecules removed by server-side filtering rules.

minimum0
invalid_count: int

Number of submitted molecules rejected as invalid input.

minimum0
started_at: Optional[datetime]
formatdate-time
status: Literal["pending", "running", "succeeded", 2 more]
One of the following:
"pending"
"running"
"succeeded"
"failed"
"stopped"
stopped_at: Optional[datetime]
formatdate-time
workspace_id: str

Workspace ID

idempotency_key: Optional[str]

Client-provided idempotency key

List small molecule library screens

import os
from boltz_api import Boltz

client = Boltz(
    api_key=os.environ.get("BOLTZ_API_KEY"),  # This is the default and can be omitted
)
page = client.small_molecule.library_screen.list()
page = page.data[0]
print(page.id)
{
  "data": [
    {
      "id": "id",
      "completed_at": "2019-12-27T18:11:19.117Z",
      "created_at": "2019-12-27T18:11:19.117Z",
      "data_deleted_at": "2019-12-27T18:11:19.117Z",
      "engine": "boltzmol",
      "engine_version": "1.0",
      "error": {
        "code": "code",
        "message": "message",
        "details": {}
      },
      "livemode": true,
      "pipeline": "boltzmol",
      "pipeline_version": "1.0",
      "progress": {
        "num_molecules_failed": 0,
        "num_molecules_screened": 0,
        "total_molecules_to_screen": 0,
        "latest_result_id": "latest_result_id",
        "rejection_summary": {
          "filtered_count": 0,
          "invalid_count": 0
        }
      },
      "started_at": "2019-12-27T18:11:19.117Z",
      "status": "pending",
      "stopped_at": "2019-12-27T18:11:19.117Z",
      "workspace_id": "workspace_id",
      "idempotency_key": "idempotency_key"
    }
  ],
  "first_id": "first_id",
  "has_more": true,
  "last_id": "last_id"
}
Returns Examples
{
  "data": [
    {
      "id": "id",
      "completed_at": "2019-12-27T18:11:19.117Z",
      "created_at": "2019-12-27T18:11:19.117Z",
      "data_deleted_at": "2019-12-27T18:11:19.117Z",
      "engine": "boltzmol",
      "engine_version": "1.0",
      "error": {
        "code": "code",
        "message": "message",
        "details": {}
      },
      "livemode": true,
      "pipeline": "boltzmol",
      "pipeline_version": "1.0",
      "progress": {
        "num_molecules_failed": 0,
        "num_molecules_screened": 0,
        "total_molecules_to_screen": 0,
        "latest_result_id": "latest_result_id",
        "rejection_summary": {
          "filtered_count": 0,
          "invalid_count": 0
        }
      },
      "started_at": "2019-12-27T18:11:19.117Z",
      "status": "pending",
      "stopped_at": "2019-12-27T18:11:19.117Z",
      "workspace_id": "workspace_id",
      "idempotency_key": "idempotency_key"
    }
  ],
  "first_id": "first_id",
  "has_more": true,
  "last_id": "last_id"
}