Stop a running protein design run

protein.design.stop() -> DesignStopResponse

POST/compute/v1/protein/design/{id}/stop

Stop an in-progress protein design run early

ParametersExpand Collapse

id: str

ReturnsExpand Collapse

class DesignStopResponse: …

A protein design engine run that generates novel protein binders

id: str

Unique ProteinDesignRun 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

engine: Literal["boltz-protein-design"]

Engine used for protein design

engine_version: str

Engine version used for protein design

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.

input: Optional[Input]

Pipeline input (null if data deleted)

binder_specification: InputBinderSpecification

Binder specification for protein design. Use no_template for sequence-defined binders, structure_template for uploaded binder structures, or boltz_curated for Boltz-managed nanobody and antibody defaults.

Accepts one of the following:

class InputBinderSpecificationStructureTemplateBinderSpecResponse: …

Binder specification starting from an existing 3D structure. Upload a CIF/PDB file and select which chains to include, which residues to keep, and which regions to redesign. Only chains included in chain_selection are part of the engine run.

chain_selection: Dict[str, InputBinderSpecificationStructureTemplateBinderSpecResponseChainSelection]

Chains selected from the uploaded binder structure, keyed by chain ID. Only chains listed here are included in the engine run — any chains omitted from this mapping are ignored. Each value defines which residues to keep (crop_residues). Omit design_motifs to include the chain as fixed scaffold context.

Accepts one of the following:

class InputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpec: …

Per-chain crop and design specification for a polymer chain in structure_template mode.

chain_type: Literal["polymer"]

crop_residues: Union[List[int], Literal["all"]]

0-indexed residue indices to retain from this chain, or 'all' to keep all residues. Residues not listed are removed before design.

Accepts one of the following:

List[int]

Literal["all"]

design_motifs: Optional[List[InputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecDesignMotif]]

Optional motifs (replacement or insertion) defining which regions to redesign on this chain. Omit this field to include the chain as fixed scaffold context.

Accepts one of the following:

class InputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecDesignMotifReplacementMotif: …

Replace a contiguous region of the sequence with a designed segment. Residues from start_index to end_index (inclusive) are replaced with a new sequence of the specified length.

design_length_range: InputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecDesignMotifReplacementMotifDesignLengthRange

Allowed sequence length range for designed regions

max: int

Maximum sequence length in residues. Must be >= min.

minimum0

min: int

Minimum sequence length in residues

minimum0

end_index: int

0-indexed end residue (inclusive)

minimum0

start_index: int

0-indexed start residue (inclusive)

minimum0

type: Literal["replacement"]

class InputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecDesignMotifInsertionMotif: …

Insert a designed segment at a specific position in the sequence.

after_residue_index: int

0-indexed position after which to insert. Use -1 to insert before the first residue.

minimum-1

design_length_range: InputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplatePolymerChainSpecDesignMotifInsertionMotifDesignLengthRange

Allowed sequence length range for designed regions

max: int

Maximum sequence length in residues. Must be >= min.

minimum0

min: int

Minimum sequence length in residues

minimum0

type: Literal["insertion"]

class InputBinderSpecificationStructureTemplateBinderSpecResponseChainSelectionStructureTemplateLigandChainSpec: …

Per-chain specification for a ligand chain in structure_template mode. The full ligand is always included.

chain_type: Literal["ligand"]

modality: Literal["peptide", "antibody", "nanobody", "custom_protein"]

Accepts one of the following:

"peptide"

"antibody"

"nanobody"

"custom_protein"

structure: InputBinderSpecificationStructureTemplateBinderSpecResponseStructure

url: str

URL to download the file

formaturi

url_expires_at: datetime

When the presigned URL expires

formatdate-time

type: Literal["structure_template"]

rules: Optional[InputBinderSpecificationStructureTemplateBinderSpecResponseRules]

Constraints applied during sequence design

excluded_amino_acids: Optional[List[str]]

Single-letter amino acid codes to exclude from design (e.g. ['C', 'P'] to exclude cysteine and proline)

excluded_sequence_motifs: Optional[List[str]]

Sequence motifs to exclude from designed regions. Designs containing any of these motifs are filtered out before scoring. Use X as a single-residue wildcard (e.g. "NGS", "NXS").

max_hydrophobic_fraction: Optional[float]

Maximum allowed fraction of hydrophobic residues (I, L, V, M, F, W) in designed regions. Designs exceeding this threshold are filtered out before scoring. Leave empty to disable.

minimum0

maximum1

class InputBinderSpecificationNoTemplateBinderSpecResponse: …

Binder specification without a structural template. Define the binder from sequence components (fixed and designed segments) without providing a starting 3D structure.

entities: List[InputBinderSpecificationNoTemplateBinderSpecResponseEntity]

Binder entities composing the design. At least one must be a designed_protein entity. Additional fixed entities (RNA, DNA, ligands) can be included as part of the complex.

Accepts one of the following:

class InputBinderSpecificationNoTemplateBinderSpecResponseEntityDesignedProteinEntityResponse: …

Protein binder entity with designed and/or fixed segments.

chain_ids: List[str]

Chain IDs to assign to this entity

type: Literal["designed_protein"]

value: str

Binder sequence specification. Fixed amino acids are written as literal single-letter codes. Designed regions are written as a length (fixed) or a length range (min..max). Example: "MKTAYI5..10VKSHFSRQ" means fixed MKTAYI, then 5-10 designed residues, then fixed VKSHFSRQ. "20" means 20 fully designed residues. "ACDE8GHI" means fixed ACDE, then 8 designed residues, then fixed GHI.

cyclic: Optional[bool]

Whether the sequence is cyclic

modifications: Optional[List[InputBinderSpecificationNoTemplateBinderSpecResponseEntityDesignedProteinEntityResponseModification]]

Optional polymer modifications. Defaults to [] when omitted.

Accepts one of the following:

class InputBinderSpecificationNoTemplateBinderSpecResponseEntityDesignedProteinEntityResponseModificationCcdModificationResponse: …

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 InputBinderSpecificationNoTemplateBinderSpecResponseEntityDesignedProteinEntityResponseModificationSmilesModificationResponse: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["smiles"]

value: str

SMILES string for the modification

class InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedProteinEntityResponse: …

A fixed protein entity whose sequence is not redesigned.

chain_ids: List[str]

Chain IDs to assign to this entity

type: Literal["protein"]

value: str

Amino acid sequence (one-letter codes)

cyclic: Optional[bool]

Whether the sequence is cyclic

modifications: Optional[List[InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedProteinEntityResponseModification]]

Optional polymer modifications. Defaults to [] when omitted.

Accepts one of the following:

class InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedProteinEntityResponseModificationCcdModificationResponse: …

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 InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedProteinEntityResponseModificationSmilesModificationResponse: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["smiles"]

value: str

SMILES string for the modification

class InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedRnaEntityResponse: …

chain_ids: List[str]

Chain IDs to assign to 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[InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedRnaEntityResponseModification]]

Optional polymer modifications. Defaults to [] when omitted.

Accepts one of the following:

class InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedRnaEntityResponseModificationCcdModificationResponse: …

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 InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedRnaEntityResponseModificationSmilesModificationResponse: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["smiles"]

value: str

SMILES string for the modification

class InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedDnaEntityResponse: …

chain_ids: List[str]

Chain IDs to assign to 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[InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedDnaEntityResponseModification]]

Optional polymer modifications. Defaults to [] when omitted.

Accepts one of the following:

class InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedDnaEntityResponseModificationCcdModificationResponse: …

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 InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedDnaEntityResponseModificationSmilesModificationResponse: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["smiles"]

value: str

SMILES string for the modification

class InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedLigandSmilesEntityResponse: …

chain_ids: List[str]

Chain IDs to assign to this entity

type: Literal["ligand_smiles"]

value: str

SMILES string representing the ligand

class InputBinderSpecificationNoTemplateBinderSpecResponseEntityFixedLigandCcdEntityResponse: …

chain_ids: List[str]

Chain IDs to assign to this entity

type: Literal["ligand_ccd"]

value: str

CCD code from RCSB PDB (e.g. 'ATP', 'ADP')

modality: Literal["peptide", "antibody", "nanobody", "custom_protein"]

Accepts one of the following:

"peptide"

"antibody"

"nanobody"

"custom_protein"

type: Literal["no_template"]

bonds: Optional[List[InputBinderSpecificationNoTemplateBinderSpecResponseBond]]

Covalent bond constraints between atoms in the binder complex. If defining bonds where an atom is part of a designed protein chain, assume residue indices count designed regions as the minimum length. Example: designed protein "1..3C1..2", "C" is residue 1 (0-indexed) of the designed protein.

atom1: InputBinderSpecificationNoTemplateBinderSpecResponseBondAtom1

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

class InputBinderSpecificationNoTemplateBinderSpecResponseBondAtom1LigandAtomResponse: …

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

atom_name: str

Standardized atom name (verifiable in CIF file on RCSB). Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead.

chain_id: str

Chain ID containing the atom

type: Literal["ligand_atom"]

class InputBinderSpecificationNoTemplateBinderSpecResponseBondAtom1PolymerAtomResponse: …

atom_name: str

Standardized atom name (verifiable in CIF file on RCSB)

chain_id: str

Chain ID containing the atom

residue_index: int

0-based residue index

minimum0

type: Literal["polymer_atom"]

atom2: InputBinderSpecificationNoTemplateBinderSpecResponseBondAtom2

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

class InputBinderSpecificationNoTemplateBinderSpecResponseBondAtom2LigandAtomResponse: …

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

atom_name: str

Standardized atom name (verifiable in CIF file on RCSB). Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead.

chain_id: str

Chain ID containing the atom

type: Literal["ligand_atom"]

class InputBinderSpecificationNoTemplateBinderSpecResponseBondAtom2PolymerAtomResponse: …

atom_name: str

Standardized atom name (verifiable in CIF file on RCSB)

chain_id: str

Chain ID containing the atom

residue_index: int

0-based residue index

minimum0

type: Literal["polymer_atom"]

rules: Optional[InputBinderSpecificationNoTemplateBinderSpecResponseRules]

Constraints applied during sequence design

excluded_amino_acids: Optional[List[str]]

Single-letter amino acid codes to exclude from design (e.g. ['C', 'P'] to exclude cysteine and proline)

excluded_sequence_motifs: Optional[List[str]]

Sequence motifs to exclude from designed regions. Designs containing any of these motifs are filtered out before scoring. Use X as a single-residue wildcard (e.g. "NGS", "NXS").

max_hydrophobic_fraction: Optional[float]

Maximum allowed fraction of hydrophobic residues (I, L, V, M, F, W) in designed regions. Designs exceeding this threshold are filtered out before scoring. Leave empty to disable.

minimum0

maximum1

class InputBinderSpecificationBoltzCuratedBinderSpecResponse: …

Boltz-managed curated binder specification. Choose a curated nanobody or antibody family and Boltz will select from maintained template lists during design. The curated lists are managed by Boltz and may be updated over time to improve quality and coverage.

binder: Literal["boltz_nanobody", "boltz_antibody"]

Boltz-managed curated binder family. Boltz maintains and may update the underlying template lists on behalf of customers.

Accepts one of the following:

"boltz_nanobody"

"boltz_antibody"

type: Literal["boltz_curated"]

rules: Optional[InputBinderSpecificationBoltzCuratedBinderSpecResponseRules]

Constraints applied during sequence design

excluded_amino_acids: Optional[List[str]]

Single-letter amino acid codes to exclude from design (e.g. ['C', 'P'] to exclude cysteine and proline)

excluded_sequence_motifs: Optional[List[str]]

Sequence motifs to exclude from designed regions. Designs containing any of these motifs are filtered out before scoring. Use X as a single-residue wildcard (e.g. "NGS", "NXS").

max_hydrophobic_fraction: Optional[float]

Maximum allowed fraction of hydrophobic residues (I, L, V, M, F, W) in designed regions. Designs exceeding this threshold are filtered out before scoring. Leave empty to disable.

minimum0

maximum1

num_proteins: int

Number of protein designs to generate. Must be between 10 and 1,000,000.

minimum10

maximum1000000

target: InputTarget

Target specification (structure template or template-free)

Accepts one of the following:

class InputTargetStructureTemplateTargetResponse: …

Target defined by an uploaded 3D structure (CIF or PDB file). Only chains included in chain_selection are used.

chain_selection: Dict[str, InputTargetStructureTemplateTargetResponseChainSelection]

Chains selected from the uploaded structure, keyed by chain ID. Only chains listed here are included in the engine run — any chains omitted from this mapping are ignored. Each value defines which residues to keep, which are epitope residues, and which are flexible.

Accepts one of the following:

class InputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetPolymerChainSpec: …

Per-chain specification for a polymer (protein/RNA/DNA) chain in a structure template target.

chain_type: Literal["polymer"]

crop_residues: Union[List[int], Literal["all"]]

0-indexed residue indices to retain from this chain, or 'all' to keep all residues. Residues not listed are excluded from the engine run.

Accepts one of the following:

List[int]

0-indexed residue indices to keep

Literal["all"]

epitope_residues: Optional[List[int]]

0-indexed residue indices where binder contact is desired (the epitope). All indices must be present in crop_residues.

flexible_residues: Optional[List[int]]

0-indexed residue indices allowed to move during design (e.g. flexible loop regions). All indices must be present in crop_residues.

class InputTargetStructureTemplateTargetResponseChainSelectionStructureTemplateTargetLigandChainSpec: …

Per-chain specification for a ligand chain in a structure template target. The full ligand is always included.

chain_type: Literal["ligand"]

structure: InputTargetStructureTemplateTargetResponseStructure

url: str

URL to download the file

formaturi

url_expires_at: datetime

When the presigned URL expires

formatdate-time

type: Literal["structure_template"]

class InputTargetNoTemplateTargetResponse: …

Target defined by sequences only, without a 3D structure template

entities: List[InputTargetNoTemplateTargetResponseEntity]

Entities (proteins, RNA, DNA, ligands) defining the target complex.

Accepts one of the following:

class InputTargetNoTemplateTargetResponseEntityProteinEntityResponse: …

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[InputTargetNoTemplateTargetResponseEntityProteinEntityResponseModification]]

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

Accepts one of the following:

class InputTargetNoTemplateTargetResponseEntityProteinEntityResponseModificationCcdModificationResponse: …

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 InputTargetNoTemplateTargetResponseEntityProteinEntityResponseModificationSmilesModificationResponse: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["smiles"]

value: str

SMILES string for the modification

class InputTargetNoTemplateTargetResponseEntityRnaEntityResponse: …

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[InputTargetNoTemplateTargetResponseEntityRnaEntityResponseModification]]

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

Accepts one of the following:

class InputTargetNoTemplateTargetResponseEntityRnaEntityResponseModificationCcdModificationResponse: …

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 InputTargetNoTemplateTargetResponseEntityRnaEntityResponseModificationSmilesModificationResponse: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["smiles"]

value: str

SMILES string for the modification

class InputTargetNoTemplateTargetResponseEntityDnaEntityResponse: …

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[InputTargetNoTemplateTargetResponseEntityDnaEntityResponseModification]]

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

Accepts one of the following:

class InputTargetNoTemplateTargetResponseEntityDnaEntityResponseModificationCcdModificationResponse: …

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 InputTargetNoTemplateTargetResponseEntityDnaEntityResponseModificationSmilesModificationResponse: …

residue_index: int

0-based index of the residue to modify

minimum0

type: Literal["smiles"]

value: str

SMILES string for the modification

class InputTargetNoTemplateTargetResponseEntityLigandCcdEntityResponse: …

chain_ids: List[str]

Chain IDs for this ligand

type: Literal["ligand_ccd"]

value: str

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

class InputTargetNoTemplateTargetResponseEntityLigandSmilesEntityResponse: …

chain_ids: List[str]

Chain IDs for this ligand

type: Literal["ligand_smiles"]

value: str

SMILES string representing the ligand

type: Literal["no_template"]

bonds: Optional[List[InputTargetNoTemplateTargetResponseBond]]

Covalent bond constraints between atoms in the target complex. Atom-level ligand references currently support ligand_ccd only; ligand_smiles is unsupported.

atom1: InputTargetNoTemplateTargetResponseBondAtom1

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

class InputTargetNoTemplateTargetResponseBondAtom1LigandAtomResponse: …

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

atom_name: str

Standardized atom name (verifiable in CIF file on RCSB). Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead.

chain_id: str

Chain ID containing the atom

type: Literal["ligand_atom"]

class InputTargetNoTemplateTargetResponseBondAtom1PolymerAtomResponse: …

atom_name: str

Standardized atom name (verifiable in CIF file on RCSB)

chain_id: str

Chain ID containing the atom

residue_index: int

0-based residue index

minimum0

type: Literal["polymer_atom"]

atom2: InputTargetNoTemplateTargetResponseBondAtom2

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

class InputTargetNoTemplateTargetResponseBondAtom2LigandAtomResponse: …

Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

atom_name: str

Standardized atom name (verifiable in CIF file on RCSB). Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead.

chain_id: str

Chain ID containing the atom

type: Literal["ligand_atom"]

class InputTargetNoTemplateTargetResponseBondAtom2PolymerAtomResponse: …

atom_name: str

Standardized atom name (verifiable in CIF file on RCSB)

chain_id: str

Chain ID containing the atom

residue_index: int

0-based residue index

minimum0

type: Literal["polymer_atom"]

constraints: Optional[List[InputTargetNoTemplateTargetResponseConstraint]]

Structural constraints (pocket and contact). Atom-level ligand references currently support ligand_ccd only; ligand_smiles is unsupported.

Accepts one of the following:

class InputTargetNoTemplateTargetResponseConstraintPocketConstraintResponse: …

Constrains the binder to interact with specific pocket residues on the target.

binder_chain_id: str

Chain ID of the binder molecule

contact_residues: Dict[str, List[int]]

Binding pocket residues keyed by chain ID. Each key is a chain ID (e.g. "A") and the value is an array of 0-indexed residue indices that define the pocket on that chain.

max_distance_angstrom: float

Maximum allowed distance in Angstroms between binder and pocket residues. Typical range: 4-8 A.

type: Literal["pocket"]

force: Optional[bool]

Whether to force the constraint

class InputTargetNoTemplateTargetResponseConstraintContactConstraintResponse: …

Contact constraint between two tokens. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

max_distance_angstrom: float

Maximum distance in Angstroms

token1: InputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1

Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

class InputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1PolymerContactTokenResponse: …

chain_id: str

Chain ID

residue_index: int

0-based residue index

minimum0

type: Literal["polymer_contact"]

class InputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken1LigandContactTokenResponse: …

Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

atom_name: str

Atom name. Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead.

chain_id: str

Chain ID

type: Literal["ligand_contact"]

token2: InputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2

Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

Accepts one of the following:

class InputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2PolymerContactTokenResponse: …

chain_id: str

Chain ID

residue_index: int

0-based residue index

minimum0

type: Literal["polymer_contact"]

class InputTargetNoTemplateTargetResponseConstraintContactConstraintResponseToken2LigandContactTokenResponse: …

Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported.

atom_name: str

Atom name. Atom-level references to ligand_smiles entities are currently unsupported; use ligand_ccd instead.

chain_id: str

Chain ID

type: Literal["ligand_contact"]

type: Literal["contact"]

force: Optional[bool]

Whether to force the constraint

epitope_ligand_chains: Optional[List[str]]

Chain IDs of ligand entities that are part of the binding epitope. Ligands are marked as epitope in full (no residue-level selection).

epitope_residues: Optional[Dict[str, List[int]]]

Polymer chain residues where binder contact is desired (the epitope). Each key is a chain ID of a polymer entity, each value is an array of 0-indexed residue indices.

idempotency_key: Optional[str]

Client-provided key to prevent duplicate submissions on retries

maxLength255

workspace_id: Optional[str]

Target workspace ID (admin keys only; ignored for workspace keys)

livemode: bool

Whether this resource was created with a live API key.

progress: Optional[Progress]

num_proteins_generated: int

Number of protein binders generated so far

minimum0

total_proteins_to_generate: int

Total number of protein binders requested

minimum1

latest_result_id: Optional[str]

ID of the most recently generated result

started_at: Optional[datetime]

formatdate-time

status: Literal["pending", "running", "succeeded", 2 more]

Accepts 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

Stop a running protein design run

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
)
response = client.protein.design.stop(
    "id",
)
print(response.id)

{
  "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": "boltz-protein-design",
  "engine_version": "engine_version",
  "error": {
    "code": "code",
    "message": "message",
    "details": {}
  },
  "input": {
    "binder_specification": {
      "chain_selection": {
        "B": {
          "chain_type": "polymer",
          "crop_residues": [
            0,
            1,
            2,
            3,
            4,
            5,
            6,
            7,
            8,
            9
          ],
          "design_motifs": [
            {
              "design_length_range": {
                "max": 8,
                "min": 4
              },
              "end_index": 5,
              "start_index": 0,
              "type": "replacement"
            }
          ]
        }
      },
      "modality": "peptide",
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "type": "structure_template",
      "rules": {
        "excluded_amino_acids": [
          "x"
        ],
        "excluded_sequence_motifs": [
          "string"
        ],
        "max_hydrophobic_fraction": 0
      }
    },
    "num_proteins": 10,
    "target": {
      "chain_selection": {
        "A": {
          "chain_type": "polymer",
          "crop_residues": [
            0,
            1,
            2,
            3,
            4,
            5,
            6,
            7,
            8,
            9,
            10,
            11,
            12
          ],
          "epitope_residues": [
            10,
            11,
            12
          ],
          "flexible_residues": [
            5,
            6,
            7
          ]
        }
      },
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "type": "structure_template"
    },
    "idempotency_key": "idempotency_key",
    "workspace_id": "workspace_id"
  },
  "livemode": true,
  "progress": {
    "num_proteins_generated": 0,
    "total_proteins_to_generate": 1,
    "latest_result_id": "latest_result_id"
  },
  "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"
}

Returns Examples

{
  "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": "boltz-protein-design",
  "engine_version": "engine_version",
  "error": {
    "code": "code",
    "message": "message",
    "details": {}
  },
  "input": {
    "binder_specification": {
      "chain_selection": {
        "B": {
          "chain_type": "polymer",
          "crop_residues": [
            0,
            1,
            2,
            3,
            4,
            5,
            6,
            7,
            8,
            9
          ],
          "design_motifs": [
            {
              "design_length_range": {
                "max": 8,
                "min": 4
              },
              "end_index": 5,
              "start_index": 0,
              "type": "replacement"
            }
          ]
        }
      },
      "modality": "peptide",
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "type": "structure_template",
      "rules": {
        "excluded_amino_acids": [
          "x"
        ],
        "excluded_sequence_motifs": [
          "string"
        ],
        "max_hydrophobic_fraction": 0
      }
    },
    "num_proteins": 10,
    "target": {
      "chain_selection": {
        "A": {
          "chain_type": "polymer",
          "crop_residues": [
            0,
            1,
            2,
            3,
            4,
            5,
            6,
            7,
            8,
            9,
            10,
            11,
            12
          ],
          "epitope_residues": [
            10,
            11,
            12
          ],
          "flexible_residues": [
            5,
            6,
            7
          ]
        }
      },
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "type": "structure_template"
    },
    "idempotency_key": "idempotency_key",
    "workspace_id": "workspace_id"
  },
  "livemode": true,
  "progress": {
    "num_proteins_generated": 0,
    "total_proteins_to_generate": 1,
    "latest_result_id": "latest_result_id"
  },
  "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"
}