Library Screen

Screen an existing library of proteins against a target structure. Results are scored by binding confidence (likelihood of protein-protein interaction) and structure confidence.

Start a protein library screen

client.protein.libraryScreen.start(, ?): LibraryScreenStartResponse { id, completed_at, created_at, 14 more }

POST/compute/v1/protein/library-screen

List protein library screens

client.protein.libraryScreen.list(?, ?): CursorPage<LibraryScreenListResponse { id, completed_at, created_at, 13 more } >

GET/compute/v1/protein/library-screen

Get protein library screen status

client.protein.libraryScreen.retrieve(, ?, ?): LibraryScreenRetrieveResponse { id, completed_at, created_at, 14 more }

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

Get screened protein candidates

client.protein.libraryScreen.listResults(, ?, ?): CursorPage<LibraryScreenListResultsResponse { id, artifacts, created_at, 4 more } >

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

Stop a running protein library screen

client.protein.libraryScreen.stop(, ?): LibraryScreenStopResponse { id, completed_at, created_at, 14 more }

POST/compute/v1/protein/library-screen/{id}/stop

Delete protein library screen data

client.protein.libraryScreen.deleteData(, ?): LibraryScreenDeleteDataResponse { id, data_deleted, data_deleted_at }

POST/compute/v1/protein/library-screen/{id}/delete-data

Estimate cost for a protein library screen

client.protein.libraryScreen.estimateCost(, ?): LibraryScreenEstimateCostResponse { breakdown, disclaimer, estimated_cost_usd }

POST/compute/v1/protein/library-screen/estimate-cost

ModelsExpand Collapse

LibraryScreenStartResponse { id, completed_at, created_at, 14 more }

A protein library screening pipeline run

id: string

Unique ProteinLibraryScreen identifier

completed_at: string | null

formatdate-time

created_at: string

formatdate-time

data_deleted_at: string | null

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

formatdate-time

Deprecatedengine: "boltzprot"

Use pipeline instead.

Deprecated. Use pipeline instead.

Deprecatedengine_version: "1.0"

Use pipeline_version instead.

Deprecated. Use pipeline_version instead.

error: Error | null

code: string

Machine-readable error code

message: string

Human-readable error message

details?: unknown

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

input: Input | null

Pipeline input (null if data deleted)

proteins: Proteins { url, url_expires_at }

url: string

URL to download the file

formaturi

url_expires_at: string

When the presigned URL expires

formatdate-time

target: StructureTemplateTargetResponse { chain_selection, structure, type } | NoTemplateTargetResponse { entities, type, bonds, 4 more }

Target specification (structure template or template-free)

One of the following:

StructureTemplateTargetResponse { chain_selection, structure, type }

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

chain_selection: Record<string, StructureTemplateTargetPolymerChainSpec { chain_type, crop_residues, epitope_residues, 2 more } | StructureTemplateTargetLigandChainSpec { chain_type } >

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

One of the following:

StructureTemplateTargetPolymerChainSpec { chain_type, crop_residues, epitope_residues, 2 more }

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

chain_type: "polymer"

crop_residues: Array<number> | "all"

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

One of the following:

Array<number>

"all"

epitope_residues?: Array<number>

0-indexed residue indices where binder contact is desired (the epitope). All indices must be present in crop_residues and must not overlap non_binding_residues.

flexible_residues?: Array<number>

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

non_binding_residues?: Array<number>

0-indexed residue indices where binder contact should be discouraged. All indices must be present in crop_residues and must not overlap epitope_residues.

StructureTemplateTargetLigandChainSpec { chain_type }

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

chain_type: "ligand"

structure: Structure { url, url_expires_at }

url: string

URL to download the file

formaturi

url_expires_at: string

When the presigned URL expires

formatdate-time

type: "structure_template"

NoTemplateTargetResponse { entities, type, bonds, 4 more }

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

entities: Array<ProteinEntityResponse { chain_ids, type, value, 2 more } | RnaEntityResponse { chain_ids, type, value, 2 more } | DnaEntityResponse { chain_ids, type, value, 2 more } | 2 more>

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

One of the following:

ProteinEntityResponse { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "protein"

value: string

Amino acid sequence (one-letter codes)

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD post-translational modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

RnaEntityResponse { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "rna"

value: string

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

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

DnaEntityResponse { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "dna"

value: string

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

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

LigandCcdEntityResponse { chain_ids, type, value }

chain_ids: Array<string>

Chain IDs for this ligand

type: "ligand_ccd"

value: string

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

LigandSmilesEntityResponse { chain_ids, type, value }

chain_ids: Array<string>

Chain IDs for this ligand

type: "ligand_smiles"

value: string

SMILES string representing the ligand

type: "no_template"

bonds?: Array<Bond>

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

atom1: LigandAtomResponse { atom_name, chain_id, type } | PolymerAtomResponse { atom_name, chain_id, residue_index, type }

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

One of the following:

LigandAtomResponse { atom_name, chain_id, type }

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

atom_name: string

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: string

Chain ID containing the atom

type: "ligand_atom"

PolymerAtomResponse { atom_name, chain_id, residue_index, type }

atom_name: string

Standardized atom name (verifiable in CIF file on RCSB)

chain_id: string

Chain ID containing the atom

residue_index: number

0-based residue index

minimum0

type: "polymer_atom"

atom2: LigandAtomResponse { atom_name, chain_id, type } | PolymerAtomResponse { atom_name, chain_id, residue_index, type }

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

One of the following:

LigandAtomResponse { atom_name, chain_id, type }

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

atom_name: string

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: string

Chain ID containing the atom

type: "ligand_atom"

PolymerAtomResponse { atom_name, chain_id, residue_index, type }

atom_name: string

Standardized atom name (verifiable in CIF file on RCSB)

chain_id: string

Chain ID containing the atom

residue_index: number

0-based residue index

minimum0

type: "polymer_atom"

constraints?: Array<PocketConstraintResponse { binder_chain_id, contact_residues, max_distance_angstrom, 2 more } | ContactConstraintResponse { max_distance_angstrom, token1, token2, 2 more } >

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

One of the following:

PocketConstraintResponse { binder_chain_id, contact_residues, max_distance_angstrom, 2 more }

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

binder_chain_id: string

Chain ID of the binder molecule

contact_residues: Record<string, Array<number>>

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: number

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

type: "pocket"

force?: boolean

Whether to force the constraint

ContactConstraintResponse { max_distance_angstrom, token1, token2, 2 more }

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

max_distance_angstrom: number

Maximum distance in Angstroms

token1: PolymerContactTokenResponse { chain_id, residue_index, type } | LigandContactTokenResponse { atom_name, chain_id, type }

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

One of the following:

PolymerContactTokenResponse { chain_id, residue_index, type }

chain_id: string

Chain ID

residue_index: number

0-based residue index

minimum0

type: "polymer_contact"

LigandContactTokenResponse { atom_name, chain_id, type }

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

atom_name: string

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

chain_id: string

Chain ID

type: "ligand_contact"

token2: PolymerContactTokenResponse { chain_id, residue_index, type } | LigandContactTokenResponse { atom_name, chain_id, type }

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

One of the following:

PolymerContactTokenResponse { chain_id, residue_index, type }

chain_id: string

Chain ID

residue_index: number

0-based residue index

minimum0

type: "polymer_contact"

LigandContactTokenResponse { atom_name, chain_id, type }

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

atom_name: string

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

chain_id: string

Chain ID

type: "ligand_contact"

type: "contact"

force?: boolean

Whether to force the constraint

epitope_ligand_chains?: Array<string>

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?: Record<string, Array<number>>

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. Residues must not overlap non_binding_residues on the same chain.

non_binding_residues?: Record<string, Array<number>>

Polymer chain residues where binder contact should be discouraged. Each key is a chain ID of a polymer entity, each value is an array of 0-indexed residue indices. Residues must not overlap epitope_residues on the same chain.

livemode: boolean

Whether this resource was created with a live API key.

pipeline: "boltzprot"

Pipeline used for protein library screen

pipeline_version: "1.0"

Pipeline version used for protein library screen

progress: Progress | null

num_proteins_failed: number

Number of accepted proteins that reached terminal failure during screening.

minimum0

num_proteins_screened: number

Number of accepted proteins that produced usable screening results.

minimum0

total_proteins_to_screen: number

Total number of proteins accepted into the screening run.

minimum1

latest_result_id?: string

ID of the latest result

started_at: string | null

formatdate-time

status: "pending" | "running" | "succeeded" | 2 more

One of the following:

"pending"

"running"

"succeeded"

"failed"

"stopped"

stopped_at: string | null

formatdate-time

workspace_id: string

Workspace ID

idempotency_key?: string

Client-provided idempotency key

LibraryScreenListResponse { id, completed_at, created_at, 13 more }

Summary of a protein library screening pipeline run (excludes input)

id: string

Unique ProteinLibraryScreenSummary identifier

completed_at: string | null

formatdate-time

created_at: string

formatdate-time

data_deleted_at: string | null

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

formatdate-time

Deprecatedengine: "boltzprot"

Use pipeline instead.

Deprecated. Use pipeline instead.

Deprecatedengine_version: "1.0"

Use pipeline_version instead.

Deprecated. Use pipeline_version instead.

error: Error | null

code: string

Machine-readable error code

message: string

Human-readable error message

details?: unknown

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

livemode: boolean

Whether this resource was created with a live API key.

pipeline: "boltzprot"

Pipeline used for protein library screen

pipeline_version: "1.0"

Pipeline version used for protein library screen

progress: Progress | null

num_proteins_failed: number

Number of accepted proteins that reached terminal failure during screening.

minimum0

num_proteins_screened: number

Number of accepted proteins that produced usable screening results.

minimum0

total_proteins_to_screen: number

Total number of proteins accepted into the screening run.

minimum1

latest_result_id?: string

ID of the latest result

started_at: string | null

formatdate-time

status: "pending" | "running" | "succeeded" | 2 more

One of the following:

"pending"

"running"

"succeeded"

"failed"

"stopped"

stopped_at: string | null

formatdate-time

workspace_id: string

Workspace ID

idempotency_key?: string

Client-provided idempotency key

LibraryScreenRetrieveResponse { id, completed_at, created_at, 14 more }

A protein library screening pipeline run

id: string

Unique ProteinLibraryScreen identifier

completed_at: string | null

formatdate-time

created_at: string

formatdate-time

data_deleted_at: string | null

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

formatdate-time

Deprecatedengine: "boltzprot"

Use pipeline instead.

Deprecated. Use pipeline instead.

Deprecatedengine_version: "1.0"

Use pipeline_version instead.

Deprecated. Use pipeline_version instead.

error: Error | null

code: string

Machine-readable error code

message: string

Human-readable error message

details?: unknown

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

input: Input | null

Pipeline input (null if data deleted)

proteins: Proteins { url, url_expires_at }

url: string

URL to download the file

formaturi

url_expires_at: string

When the presigned URL expires

formatdate-time

target: StructureTemplateTargetResponse { chain_selection, structure, type } | NoTemplateTargetResponse { entities, type, bonds, 4 more }

Target specification (structure template or template-free)

One of the following:

StructureTemplateTargetResponse { chain_selection, structure, type }

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

chain_selection: Record<string, StructureTemplateTargetPolymerChainSpec { chain_type, crop_residues, epitope_residues, 2 more } | StructureTemplateTargetLigandChainSpec { chain_type } >

One of the following:

StructureTemplateTargetPolymerChainSpec { chain_type, crop_residues, epitope_residues, 2 more }

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

chain_type: "polymer"

crop_residues: Array<number> | "all"

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

One of the following:

Array<number>

"all"

epitope_residues?: Array<number>

0-indexed residue indices where binder contact is desired (the epitope). All indices must be present in crop_residues and must not overlap non_binding_residues.

flexible_residues?: Array<number>

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

non_binding_residues?: Array<number>

0-indexed residue indices where binder contact should be discouraged. All indices must be present in crop_residues and must not overlap epitope_residues.

StructureTemplateTargetLigandChainSpec { chain_type }

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

chain_type: "ligand"

structure: Structure { url, url_expires_at }

url: string

URL to download the file

formaturi

url_expires_at: string

When the presigned URL expires

formatdate-time

type: "structure_template"

NoTemplateTargetResponse { entities, type, bonds, 4 more }

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

entities: Array<ProteinEntityResponse { chain_ids, type, value, 2 more } | RnaEntityResponse { chain_ids, type, value, 2 more } | DnaEntityResponse { chain_ids, type, value, 2 more } | 2 more>

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

One of the following:

ProteinEntityResponse { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "protein"

value: string

Amino acid sequence (one-letter codes)

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD post-translational modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

RnaEntityResponse { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "rna"

value: string

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

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

DnaEntityResponse { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "dna"

value: string

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

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

LigandCcdEntityResponse { chain_ids, type, value }

chain_ids: Array<string>

Chain IDs for this ligand

type: "ligand_ccd"

value: string

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

LigandSmilesEntityResponse { chain_ids, type, value }

chain_ids: Array<string>

Chain IDs for this ligand

type: "ligand_smiles"

value: string

SMILES string representing the ligand

type: "no_template"

bonds?: Array<Bond>

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

atom1: LigandAtomResponse { atom_name, chain_id, type } | PolymerAtomResponse { atom_name, chain_id, residue_index, type }

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

One of the following:

LigandAtomResponse { atom_name, chain_id, type }

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

atom_name: string

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: string

Chain ID containing the atom

type: "ligand_atom"

PolymerAtomResponse { atom_name, chain_id, residue_index, type }

atom_name: string

Standardized atom name (verifiable in CIF file on RCSB)

chain_id: string

Chain ID containing the atom

residue_index: number

0-based residue index

minimum0

type: "polymer_atom"

atom2: LigandAtomResponse { atom_name, chain_id, type } | PolymerAtomResponse { atom_name, chain_id, residue_index, type }

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

One of the following:

LigandAtomResponse { atom_name, chain_id, type }

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

atom_name: string

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: string

Chain ID containing the atom

type: "ligand_atom"

PolymerAtomResponse { atom_name, chain_id, residue_index, type }

atom_name: string

Standardized atom name (verifiable in CIF file on RCSB)

chain_id: string

Chain ID containing the atom

residue_index: number

0-based residue index

minimum0

type: "polymer_atom"

constraints?: Array<PocketConstraintResponse { binder_chain_id, contact_residues, max_distance_angstrom, 2 more } | ContactConstraintResponse { max_distance_angstrom, token1, token2, 2 more } >

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

One of the following:

PocketConstraintResponse { binder_chain_id, contact_residues, max_distance_angstrom, 2 more }

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

binder_chain_id: string

Chain ID of the binder molecule

contact_residues: Record<string, Array<number>>

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: number

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

type: "pocket"

force?: boolean

Whether to force the constraint

ContactConstraintResponse { max_distance_angstrom, token1, token2, 2 more }

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

max_distance_angstrom: number

Maximum distance in Angstroms

token1: PolymerContactTokenResponse { chain_id, residue_index, type } | LigandContactTokenResponse { atom_name, chain_id, type }

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

One of the following:

PolymerContactTokenResponse { chain_id, residue_index, type }

chain_id: string

Chain ID

residue_index: number

0-based residue index

minimum0

type: "polymer_contact"

LigandContactTokenResponse { atom_name, chain_id, type }

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

atom_name: string

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

chain_id: string

Chain ID

type: "ligand_contact"

token2: PolymerContactTokenResponse { chain_id, residue_index, type } | LigandContactTokenResponse { atom_name, chain_id, type }

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

One of the following:

PolymerContactTokenResponse { chain_id, residue_index, type }

chain_id: string

Chain ID

residue_index: number

0-based residue index

minimum0

type: "polymer_contact"

LigandContactTokenResponse { atom_name, chain_id, type }

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

atom_name: string

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

chain_id: string

Chain ID

type: "ligand_contact"

type: "contact"

force?: boolean

Whether to force the constraint

epitope_ligand_chains?: Array<string>

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?: Record<string, Array<number>>

non_binding_residues?: Record<string, Array<number>>

livemode: boolean

Whether this resource was created with a live API key.

pipeline: "boltzprot"

Pipeline used for protein library screen

pipeline_version: "1.0"

Pipeline version used for protein library screen

progress: Progress | null

num_proteins_failed: number

Number of accepted proteins that reached terminal failure during screening.

minimum0

num_proteins_screened: number

Number of accepted proteins that produced usable screening results.

minimum0

total_proteins_to_screen: number

Total number of proteins accepted into the screening run.

minimum1

latest_result_id?: string

ID of the latest result

started_at: string | null

formatdate-time

status: "pending" | "running" | "succeeded" | 2 more

One of the following:

"pending"

"running"

"succeeded"

"failed"

"stopped"

stopped_at: string | null

formatdate-time

workspace_id: string

Workspace ID

idempotency_key?: string

Client-provided idempotency key

LibraryScreenListResultsResponse { id, artifacts, created_at, 4 more }

Result for a single screened protein

id: string

Unique result ID

artifacts: Artifacts { archive, structure }

archive: Archive { url, url_expires_at }

url: string

URL to download the file

formaturi

url_expires_at: string

When the presigned URL expires

formatdate-time

structure: Structure { url, url_expires_at }

url: string

URL to download the file

formaturi

url_expires_at: string

When the presigned URL expires

formatdate-time

created_at: string

formatdate-time

entities: Array<ProteinEntity { chain_ids, type, value, 2 more } | RnaEntity { chain_ids, type, value, 2 more } | DnaEntity { chain_ids, type, value, 2 more } | 2 more>

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

One of the following:

ProteinEntity { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "protein"

value: string

Amino acid sequence (one-letter codes)

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD post-translational modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

RnaEntity { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "rna"

value: string

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

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

DnaEntity { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "dna"

value: string

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

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

LigandCcdEntity { chain_ids, type, value }

chain_ids: Array<string>

Chain IDs for this ligand

type: "ligand_ccd"

value: string

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

LigandSmilesEntity { chain_ids, type, value }

chain_ids: Array<string>

Chain IDs for this ligand

type: "ligand_smiles"

value: string

SMILES string representing the ligand

metrics: Metrics { binding_confidence, helix_fraction, iptm, 4 more }

Structural and binding quality metrics for a screened protein

binding_confidence: number

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

helix_fraction: number

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

iptm: number

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

loop_fraction: number

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

min_interaction_pae: number

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

sheet_fraction: number

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

structure_confidence: number

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

external_id?: string

Client-provided identifier for this protein, if provided

warnings?: Array<Warning>

Warnings about potential quality issues with this result.

code: string

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

message: string

Human-readable description of the warning

LibraryScreenStopResponse { id, completed_at, created_at, 14 more }

A protein library screening pipeline run

id: string

Unique ProteinLibraryScreen identifier

completed_at: string | null

formatdate-time

created_at: string

formatdate-time

data_deleted_at: string | null

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

formatdate-time

Deprecatedengine: "boltzprot"

Use pipeline instead.

Deprecated. Use pipeline instead.

Deprecatedengine_version: "1.0"

Use pipeline_version instead.

Deprecated. Use pipeline_version instead.

error: Error | null

code: string

Machine-readable error code

message: string

Human-readable error message

details?: unknown

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

input: Input | null

Pipeline input (null if data deleted)

proteins: Proteins { url, url_expires_at }

url: string

URL to download the file

formaturi

url_expires_at: string

When the presigned URL expires

formatdate-time

target: StructureTemplateTargetResponse { chain_selection, structure, type } | NoTemplateTargetResponse { entities, type, bonds, 4 more }

Target specification (structure template or template-free)

One of the following:

StructureTemplateTargetResponse { chain_selection, structure, type }

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

chain_selection: Record<string, StructureTemplateTargetPolymerChainSpec { chain_type, crop_residues, epitope_residues, 2 more } | StructureTemplateTargetLigandChainSpec { chain_type } >

One of the following:

StructureTemplateTargetPolymerChainSpec { chain_type, crop_residues, epitope_residues, 2 more }

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

chain_type: "polymer"

crop_residues: Array<number> | "all"

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

One of the following:

Array<number>

"all"

epitope_residues?: Array<number>

0-indexed residue indices where binder contact is desired (the epitope). All indices must be present in crop_residues and must not overlap non_binding_residues.

flexible_residues?: Array<number>

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

non_binding_residues?: Array<number>

0-indexed residue indices where binder contact should be discouraged. All indices must be present in crop_residues and must not overlap epitope_residues.

StructureTemplateTargetLigandChainSpec { chain_type }

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

chain_type: "ligand"

structure: Structure { url, url_expires_at }

url: string

URL to download the file

formaturi

url_expires_at: string

When the presigned URL expires

formatdate-time

type: "structure_template"

NoTemplateTargetResponse { entities, type, bonds, 4 more }

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

entities: Array<ProteinEntityResponse { chain_ids, type, value, 2 more } | RnaEntityResponse { chain_ids, type, value, 2 more } | DnaEntityResponse { chain_ids, type, value, 2 more } | 2 more>

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

One of the following:

ProteinEntityResponse { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "protein"

value: string

Amino acid sequence (one-letter codes)

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD post-translational modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

RnaEntityResponse { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "rna"

value: string

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

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

DnaEntityResponse { chain_ids, type, value, 2 more }

chain_ids: Array<string>

Chain IDs for this entity

type: "dna"

value: string

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

cyclic?: boolean

Whether the sequence is cyclic

modifications?: Array<Modification>

CCD chemical modifications. Optional; defaults to an empty list when omitted. SMILES modifications are not supported.

residue_index: number

0-based index of the residue to modify

minimum0

type: "ccd"

Modification format. Only CCD polymer modifications are supported.

value: string

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

LigandCcdEntityResponse { chain_ids, type, value }

chain_ids: Array<string>

Chain IDs for this ligand

type: "ligand_ccd"

value: string

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

LigandSmilesEntityResponse { chain_ids, type, value }

chain_ids: Array<string>

Chain IDs for this ligand

type: "ligand_smiles"

value: string

SMILES string representing the ligand

type: "no_template"

bonds?: Array<Bond>

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

atom1: LigandAtomResponse { atom_name, chain_id, type } | PolymerAtomResponse { atom_name, chain_id, residue_index, type }

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

One of the following:

LigandAtomResponse { atom_name, chain_id, type }

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

atom_name: string

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: string

Chain ID containing the atom

type: "ligand_atom"

PolymerAtomResponse { atom_name, chain_id, residue_index, type }

atom_name: string

Standardized atom name (verifiable in CIF file on RCSB)

chain_id: string

Chain ID containing the atom

residue_index: number

0-based residue index

minimum0

type: "polymer_atom"

atom2: LigandAtomResponse { atom_name, chain_id, type } | PolymerAtomResponse { atom_name, chain_id, residue_index, type }

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

One of the following:

LigandAtomResponse { atom_name, chain_id, type }

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

atom_name: string

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: string

Chain ID containing the atom

type: "ligand_atom"

PolymerAtomResponse { atom_name, chain_id, residue_index, type }

atom_name: string

Standardized atom name (verifiable in CIF file on RCSB)

chain_id: string

Chain ID containing the atom

residue_index: number

0-based residue index

minimum0

type: "polymer_atom"

constraints?: Array<PocketConstraintResponse { binder_chain_id, contact_residues, max_distance_angstrom, 2 more } | ContactConstraintResponse { max_distance_angstrom, token1, token2, 2 more } >

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

One of the following:

PocketConstraintResponse { binder_chain_id, contact_residues, max_distance_angstrom, 2 more }

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

binder_chain_id: string

Chain ID of the binder molecule

contact_residues: Record<string, Array<number>>

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: number

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

type: "pocket"

force?: boolean

Whether to force the constraint

ContactConstraintResponse { max_distance_angstrom, token1, token2, 2 more }

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

max_distance_angstrom: number

Maximum distance in Angstroms

token1: PolymerContactTokenResponse { chain_id, residue_index, type } | LigandContactTokenResponse { atom_name, chain_id, type }

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

One of the following:

PolymerContactTokenResponse { chain_id, residue_index, type }

chain_id: string

Chain ID

residue_index: number

0-based residue index

minimum0

type: "polymer_contact"

LigandContactTokenResponse { atom_name, chain_id, type }

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

atom_name: string

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

chain_id: string

Chain ID

type: "ligand_contact"

token2: PolymerContactTokenResponse { chain_id, residue_index, type } | LigandContactTokenResponse { atom_name, chain_id, type }

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

One of the following:

PolymerContactTokenResponse { chain_id, residue_index, type }

chain_id: string

Chain ID

residue_index: number

0-based residue index

minimum0

type: "polymer_contact"

LigandContactTokenResponse { atom_name, chain_id, type }

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

atom_name: string

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

chain_id: string

Chain ID

type: "ligand_contact"

type: "contact"

force?: boolean

Whether to force the constraint

epitope_ligand_chains?: Array<string>

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?: Record<string, Array<number>>

non_binding_residues?: Record<string, Array<number>>

livemode: boolean

Whether this resource was created with a live API key.

pipeline: "boltzprot"

Pipeline used for protein library screen

pipeline_version: "1.0"

Pipeline version used for protein library screen

progress: Progress | null

num_proteins_failed: number

Number of accepted proteins that reached terminal failure during screening.

minimum0

num_proteins_screened: number

Number of accepted proteins that produced usable screening results.

minimum0

total_proteins_to_screen: number

Total number of proteins accepted into the screening run.

minimum1

latest_result_id?: string

ID of the latest result

started_at: string | null

formatdate-time

status: "pending" | "running" | "succeeded" | 2 more

One of the following:

"pending"

"running"

"succeeded"

"failed"

"stopped"

stopped_at: string | null

formatdate-time

workspace_id: string

Workspace ID

idempotency_key?: string

Client-provided idempotency key

LibraryScreenDeleteDataResponse { id, data_deleted, data_deleted_at }

id: string

ID of the resource whose data was deleted

data_deleted: true

data_deleted_at: string

When the data was deleted

formatdate-time

LibraryScreenEstimateCostResponse { breakdown, disclaimer, estimated_cost_usd }

Estimate response with monetary values encoded as decimal strings to preserve precision.

breakdown: Breakdown { application, cost_per_unit_usd, num_units }

Cost breakdown for the billed application.

application: "structure_and_binding" | "small_molecule_design" | "small_molecule_library_screen" | 4 more

One of the following:

"structure_and_binding"

"small_molecule_design"

"small_molecule_library_screen"

"protein_design"

"protein_redesign"

"protein_library_screen"

"adme"

cost_per_unit_usd: string

Estimated cost per displayed unit as a decimal string, rounded up to 4 decimal places. This may include token-size multipliers or generation overhead; estimated_cost_usd is the authoritative total.

num_units: number

Number of billable units in the estimate. The unit depends on the endpoint: samples for structure-and-binding, molecules for ADME, and requested proteins or molecules for design/screen endpoints.

disclaimer: string

estimated_cost_usd: string

Estimated total cost as a decimal string