Get screened protein candidates

protein.library_screen.list_results(, ) -> SyncCursorPage[LibraryScreenListResultsResponse]

GET/compute/v1/protein/library-screen/{id}/results

Retrieve paginated results from a protein library screen

ParametersExpand Collapse

id: str

after_id: Optional[str]

Return results after this ID

before_id: Optional[str]

Return results before this ID

limit: Optional[int]

Max results to return. Defaults to 100.

minimum1

maximum1000

workspace_id: Optional[str]

Workspace ID. Only used with admin API keys. Ignored (or validated) for workspace-scoped keys.

ReturnsExpand Collapse

class LibraryScreenListResultsResponse: …

Result for a single screened protein

id: str

Unique result ID

artifacts: Artifacts

archive: ArtifactsArchive

url: str

URL to download the file

formaturi

url_expires_at: datetime

When the presigned URL expires

formatdate-time

structure: ArtifactsStructure

url: str

URL to download the file

formaturi

url_expires_at: datetime

When the presigned URL expires

formatdate-time

created_at: datetime

formatdate-time

entities: List[Entity]

Entities of the screened complex. Includes both screened and fixed entities from the input.

Accepts one of the following:

class EntityProteinEntity: …

chain_ids: List[str]

Chain IDs for this entity

type: Literal["protein"]

value: str

Amino acid sequence (one-letter codes)

cyclic: Optional[bool]

Whether the sequence is cyclic

modifications: Optional[List[EntityProteinEntityModification]]

Post-translational modifications. Optional; defaults to an empty list when omitted.

Accepts one of the following:

class EntityProteinEntityModificationCcdModification: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["ccd"]

value: str

CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine)

class EntityProteinEntityModificationSmilesModification: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["smiles"]

value: str

SMILES string for the modification

class EntityRnaEntity: …

chain_ids: List[str]

Chain IDs for this entity

type: Literal["rna"]

value: str

RNA nucleotide sequence (A, C, G, U, N)

cyclic: Optional[bool]

Whether the sequence is cyclic

modifications: Optional[List[EntityRnaEntityModification]]

Chemical modifications. Optional; defaults to an empty list when omitted.

Accepts one of the following:

class EntityRnaEntityModificationCcdModification: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["ccd"]

value: str

CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine)

class EntityRnaEntityModificationSmilesModification: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["smiles"]

value: str

SMILES string for the modification

class EntityDnaEntity: …

chain_ids: List[str]

Chain IDs for this entity

type: Literal["dna"]

value: str

DNA nucleotide sequence (A, C, G, T, N)

cyclic: Optional[bool]

Whether the sequence is cyclic

modifications: Optional[List[EntityDnaEntityModification]]

Chemical modifications. Optional; defaults to an empty list when omitted.

Accepts one of the following:

class EntityDnaEntityModificationCcdModification: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["ccd"]

value: str

CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine)

class EntityDnaEntityModificationSmilesModification: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["smiles"]

value: str

SMILES string for the modification

class EntityLigandCcdEntity: …

chain_ids: List[str]

Chain IDs for this ligand

type: Literal["ligand_ccd"]

value: str

CCD code (e.g., ATP, ADP)

class EntityLigandSmilesEntity: …

chain_ids: List[str]

Chain IDs for this ligand

type: Literal["ligand_smiles"]

value: str

SMILES string representing the ligand

metrics: Metrics

Structural and binding quality metrics for a screened protein

binding_confidence: float

Confidence that the protein binds the target (0-1). Primary metric for hit discovery.

helix_fraction: float

Fraction of the sequence forming alpha helices (0-1).

iptm: float

Interface predicted TM score (0-1). Confidence in the protein-protein interface.

loop_fraction: float

Fraction of the sequence in coil/loop regions (0-1).

min_interaction_pae: float

Minimum predicted aligned error at the interface (Angstroms). Lower values indicate higher confidence.

sheet_fraction: float

Fraction of the sequence forming beta sheets (0-1).

structure_confidence: float

Confidence in the predicted 3D structure (0-1).

external_id: Optional[str]

Client-provided identifier for this protein, if provided

warnings: Optional[List[Warning]]

Warnings about potential quality issues with this result.

code: str

Machine-readable warning code (e.g. "low_confidence", "unusual_geometry")

message: str

Human-readable description of the warning

Get screened protein candidates

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.protein.library_screen.list_results(
    id="id",
)
page = page.data[0]
print(page.id)

{
  "data": [
    {
      "id": "id",
      "artifacts": {
        "archive": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        },
        "structure": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        }
      },
      "created_at": "2019-12-27T18:11:19.117Z",
      "entities": [
        {
          "chain_ids": [
            "string"
          ],
          "type": "protein",
          "value": "value",
          "cyclic": true,
          "modifications": [
            {
              "residue_index": 0,
              "type": "ccd",
              "value": "value"
            }
          ]
        }
      ],
      "metrics": {
        "binding_confidence": 0,
        "helix_fraction": 0,
        "iptm": 0,
        "loop_fraction": 0,
        "min_interaction_pae": 0,
        "sheet_fraction": 0,
        "structure_confidence": 0
      },
      "external_id": "external_id",
      "warnings": [
        {
          "code": "code",
          "message": "message"
        }
      ]
    }
  ],
  "first_id": "first_id",
  "has_more": true,
  "last_id": "last_id"
}

Returns Examples

{
  "data": [
    {
      "id": "id",
      "artifacts": {
        "archive": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        },
        "structure": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        }
      },
      "created_at": "2019-12-27T18:11:19.117Z",
      "entities": [
        {
          "chain_ids": [
            "string"
          ],
          "type": "protein",
          "value": "value",
          "cyclic": true,
          "modifications": [
            {
              "residue_index": 0,
              "type": "ccd",
              "value": "value"
            }
          ]
        }
      ],
      "metrics": {
        "binding_confidence": 0,
        "helix_fraction": 0,
        "iptm": 0,
        "loop_fraction": 0,
        "min_interaction_pae": 0,
        "sheet_fraction": 0,
        "structure_confidence": 0
      },
      "external_id": "external_id",
      "warnings": [
        {
          "code": "code",
          "message": "message"
        }
      ]
    }
  ],
  "first_id": "first_id",
  "has_more": true,
  "last_id": "last_id"
}