API Reference

Predictions

Structure And Binding

Copy Markdown

Open in Claude

Open in ChatGPT

Open in Cursor

---

Copy Markdown

View as Markdown

Retrieve a structure and binding prediction

client.Predictions.StructureAndBinding.Get(ctx, id, query) (*PredictionStructureAndBindingGetResponse, error)

GET/compute/v1/predictions/structure-and-binding/{id}

Retrieve a prediction by ID, including its status and results.

ParametersExpand Collapse

id string

query PredictionStructureAndBindingGetParams

WorkspaceID param.Field[string]Optional

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

ReturnsExpand Collapse

type PredictionStructureAndBindingGetResponse struct{…}

ID string

Unique prediction identifier

CompletedAt Time

formatdate-time

CreatedAt Time

formatdate-time

DataDeletedAt Time

When the input/output data was deleted, or null if still available

formatdate-time

Error PredictionStructureAndBindingGetResponseError

Error details when failed

Code string

Machine-readable error code

Message string

Human-readable error message

Details anyOptional

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

ExpiresAt Time

When this resource and its associated data will be permanently deleted. Null while still in progress.

formatdate-time

Input PredictionStructureAndBindingGetResponseInput

Prediction input (null if data deleted)

Entities []PredictionStructureAndBindingGetResponseInputEntityUnion

Entities (proteins, RNA, DNA, ligands) forming the complex to predict. Order determines chain assignment.

One of the following:

type PredictionStructureAndBindingGetResponseInputEntityBoltz2ProteinEntityResponse struct{…}

ChainIDs []string

Chain IDs for this entity

Type Protein

Value string

Amino acid sequence (one-letter codes)

Cyclic boolOptional

Whether the sequence is cyclic

Modifications []PredictionStructureAndBindingGetResponseInputEntityBoltz2ProteinEntityResponseModificationOptional

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

ResidueIndex int64

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)

Msa PredictionStructureAndBindingGetResponseInputEntityBoltz2ProteinEntityResponseMsaUnionOptional

Optional protein MSA control. Omit msa on all protein entities to use automatic MSA generation. Use custom for user-provided A3M/CSV files, or empty for single-sequence mode. Custom MSA and automatic MSA cannot be mixed in one request.

One of the following:

type PredictionStructureAndBindingGetResponseInputEntityBoltz2ProteinEntityResponseMsaBoltz2CustomMsaResponse struct{…}

Use a user-provided MSA for this protein entity. If any protein entity uses a custom MSA, every other protein entity must use either custom or empty MSA; automatic MSA generation cannot be mixed with custom MSAs in the same request.

Format PredictionStructureAndBindingGetResponseInputEntityBoltz2ProteinEntityResponseMsaBoltz2CustomMsaResponseFormat

Custom MSA file format. Base64 uploads must use media_type text/x-a3m for A3M or text/csv for CSV.

One of the following:

const PredictionStructureAndBindingGetResponseInputEntityBoltz2ProteinEntityResponseMsaBoltz2CustomMsaResponseFormatA3m PredictionStructureAndBindingGetResponseInputEntityBoltz2ProteinEntityResponseMsaBoltz2CustomMsaResponseFormat = "a3m"

const PredictionStructureAndBindingGetResponseInputEntityBoltz2ProteinEntityResponseMsaBoltz2CustomMsaResponseFormatCsv PredictionStructureAndBindingGetResponseInputEntityBoltz2ProteinEntityResponseMsaBoltz2CustomMsaResponseFormat = "csv"

Source PredictionStructureAndBindingGetResponseInputEntityBoltz2ProteinEntityResponseMsaBoltz2CustomMsaResponseSource

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

Type Custom

type PredictionStructureAndBindingGetResponseInputEntityBoltz2ProteinEntityResponseMsaBoltz2EmptyMsaResponse struct{…}

Run this protein entity in single-sequence mode without an MSA. Use this for chains that should not use automatic MSA generation, including non-homologous chains in a request that also includes custom MSAs.

Type Empty

type PredictionStructureAndBindingGetResponseInputEntityRnaEntityResponse struct{…}

ChainIDs []string

Chain IDs for this entity

Type Rna

Value string

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

Cyclic boolOptional

Whether the sequence is cyclic

Modifications []PredictionStructureAndBindingGetResponseInputEntityRnaEntityResponseModificationOptional

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

ResidueIndex int64

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)

type PredictionStructureAndBindingGetResponseInputEntityDnaEntityResponse struct{…}

ChainIDs []string

Chain IDs for this entity

Type Dna

Value string

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

Cyclic boolOptional

Whether the sequence is cyclic

Modifications []PredictionStructureAndBindingGetResponseInputEntityDnaEntityResponseModificationOptional

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

ResidueIndex int64

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)

type PredictionStructureAndBindingGetResponseInputEntityLigandCcdEntityResponse struct{…}

ChainIDs []string

Chain IDs for this ligand

Type LigandCcd

Value string

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

type PredictionStructureAndBindingGetResponseInputEntityLigandSmilesEntityResponse struct{…}

ChainIDs []string

Chain IDs for this ligand

Type LigandSmiles

Value string

SMILES string representing the ligand

Binding PredictionStructureAndBindingGetResponseInputBindingUnionOptional

One of the following:

type PredictionStructureAndBindingGetResponseInputBindingLigandProteinBindingResponse struct{…}

BinderChainID string

Chain ID of the ligand binder (must have exactly 1 copy, <50 atoms, and only ligands+proteins in entities)

Type LigandProteinBinding

type PredictionStructureAndBindingGetResponseInputBindingProteinProteinBindingResponse struct{…}

BinderChainIDs []string

Chain IDs of the protein binders

Type ProteinProteinBinding

Bonds []PredictionStructureAndBindingGetResponseInputBondOptional

Bond constraints between atoms. Atom-level ligand references currently support ligand_ccd only; ligand_smiles is unsupported.

Atom1 PredictionStructureAndBindingGetResponseInputBondAtom1Union

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

One of the following:

type PredictionStructureAndBindingGetResponseInputBondAtom1LigandAtomResponse struct{…}

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

AtomName string

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

ChainID string

Chain ID containing the atom

Type LigandAtom

type PredictionStructureAndBindingGetResponseInputBondAtom1PolymerAtomResponse struct{…}

AtomName string

Standardized atom name (verifiable in CIF file on RCSB)

ChainID string

Chain ID containing the atom

ResidueIndex int64

0-based residue index

minimum0

Type PolymerAtom

Atom2 PredictionStructureAndBindingGetResponseInputBondAtom2Union

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

One of the following:

type PredictionStructureAndBindingGetResponseInputBondAtom2LigandAtomResponse struct{…}

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

AtomName string

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

ChainID string

Chain ID containing the atom

Type LigandAtom

type PredictionStructureAndBindingGetResponseInputBondAtom2PolymerAtomResponse struct{…}

AtomName string

Standardized atom name (verifiable in CIF file on RCSB)

ChainID string

Chain ID containing the atom

ResidueIndex int64

0-based residue index

minimum0

Type PolymerAtom

Constraints []PredictionStructureAndBindingGetResponseInputConstraintUnionOptional

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

One of the following:

type PredictionStructureAndBindingGetResponseInputConstraintPocketConstraintResponse struct{…}

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

BinderChainID string

Chain ID of the binder molecule

ContactResidues map[string, []int64]

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.

MaxDistanceAngstrom float64

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

Type Pocket

Force boolOptional

Whether to force the constraint

type PredictionStructureAndBindingGetResponseInputConstraintContactConstraintResponse struct{…}

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

MaxDistanceAngstrom float64

Maximum distance in Angstroms

Token1 PredictionStructureAndBindingGetResponseInputConstraintContactConstraintResponseToken1Union

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

One of the following:

type PredictionStructureAndBindingGetResponseInputConstraintContactConstraintResponseToken1PolymerContactTokenResponse struct{…}

ChainID string

Chain ID

ResidueIndex int64

0-based residue index

minimum0

Type PolymerContact

type PredictionStructureAndBindingGetResponseInputConstraintContactConstraintResponseToken1LigandContactTokenResponse struct{…}

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

AtomName string

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

ChainID string

Chain ID

Type LigandContact

Token2 PredictionStructureAndBindingGetResponseInputConstraintContactConstraintResponseToken2Union

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

One of the following:

type PredictionStructureAndBindingGetResponseInputConstraintContactConstraintResponseToken2PolymerContactTokenResponse struct{…}

ChainID string

Chain ID

ResidueIndex int64

0-based residue index

minimum0

Type PolymerContact

type PredictionStructureAndBindingGetResponseInputConstraintContactConstraintResponseToken2LigandContactTokenResponse struct{…}

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

AtomName string

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

ChainID string

Chain ID

Type LigandContact

Type Contact

Force boolOptional

Whether to force the constraint

ModelOptions PredictionStructureAndBindingGetResponseInputModelOptionsOptional

RecyclingSteps int64Optional

The number of recycling steps to use for prediction. Default is 3.

minimum1

SamplingSteps int64Optional

The number of sampling steps to use for prediction. Default is 200.

minimum50

StepScale float64Optional

Diffusion step scale (temperature). Controls sampling diversity — higher values produce more varied structures. Default is 1.638.

minimum1.3

maximum2

NumSamples int64Optional

Number of structure samples to generate (1-10)

minimum1

maximum10

Templates []PredictionStructureAndBindingGetResponseInputTemplateOptional

Template structure files to guide protein-chain prediction. Supports up to 4 CIF or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map request chains to template-file chains.

TemplateChains []PredictionStructureAndBindingGetResponseInputTemplateTemplateChain

Request-to-template chain mappings. Each input_chain_id and template_chain_id must be unique within this template.

InputChainID string

Chain ID in this prediction request

TemplateChainID string

Corresponding chain ID in the template structure file

TemplateStructure PredictionStructureAndBindingGetResponseInputTemplateTemplateStructure

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

ForceThresholdAngstroms float64Optional

Force the template reference potential with this distance threshold in angstroms. Omit to use the template without force.

minimum0

Livemode bool

Whether this resource was created with a live API key.

Model Boltz2_1

Model used for prediction

Output PredictionStructureAndBindingGetResponseOutput

Prediction output when succeeded

AllSampleResults []PredictionStructureAndBindingGetResponseOutputAllSampleResult

Per-sample structure results

Metrics PredictionStructureAndBindingGetResponseOutputAllSampleResultMetrics

ComplexIpde float64

Complex interface predicted distance error. Lower is better.

ComplexIplddt float64

Complex interface pLDDT (0-1 float). Confidence at inter-chain interfaces.

ComplexPde float64

Complex predicted distance error. Lower is better.

ComplexPlddt float64

Complex pLDDT (0-1 float). Per-residue confidence averaged over the complex.

Iptm float64

Interface predicted TM score (0-1). Confidence in domain interfaces.

LigandIptm float64

Ligand interface pTM (0-1). Only present when ligands are included.

ProteinIptm float64

Protein-protein interface pTM (0-1). Only present for multi-protein complexes.

Ptm float64

Predicted TM score (0-1). Global structure quality.

StructureConfidence float64

Overall structure confidence (0-1).

Structure PredictionStructureAndBindingGetResponseOutputAllSampleResultStructure

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

LigandStructure PredictionStructureAndBindingGetResponseOutputAllSampleResultLigandStructureOptional

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

BestSample PredictionStructureAndBindingGetResponseOutputBestSample

Metrics PredictionStructureAndBindingGetResponseOutputBestSampleMetrics

ComplexIpde float64

Complex interface predicted distance error. Lower is better.

ComplexIplddt float64

Complex interface pLDDT (0-1 float). Confidence at inter-chain interfaces.

ComplexPde float64

Complex predicted distance error. Lower is better.

ComplexPlddt float64

Complex pLDDT (0-1 float). Per-residue confidence averaged over the complex.

Iptm float64

Interface predicted TM score (0-1). Confidence in domain interfaces.

LigandIptm float64

Ligand interface pTM (0-1). Only present when ligands are included.

ProteinIptm float64

Protein-protein interface pTM (0-1). Only present for multi-protein complexes.

Ptm float64

Predicted TM score (0-1). Global structure quality.

StructureConfidence float64

Overall structure confidence (0-1).

Structure PredictionStructureAndBindingGetResponseOutputBestSampleStructure

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

LigandStructure PredictionStructureAndBindingGetResponseOutputBestSampleLigandStructureOptional

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

Archive PredictionStructureAndBindingGetResponseOutputArchiveOptional

URL string

URL to download the file

formaturi

URLExpiresAt Time

When the presigned URL expires

formatdate-time

BindingMetrics PredictionStructureAndBindingGetResponseOutputBindingMetricsUnionOptional

One of the following:

type PredictionStructureAndBindingGetResponseOutputBindingMetricsLigandProteinBindingMetrics struct{…}

BindingConfidence float64

Confidence that binding occurs (0-1). Primary metric for hit discovery.

OptimizationScore float64

Binding strength ranking score for lead optimization. Higher values indicate stronger predicted binding.

Type LigandProteinBindingMetrics

type PredictionStructureAndBindingGetResponseOutputBindingMetricsProteinProteinBindingMetrics struct{…}

BindingConfidence float64

Confidence that binding occurs (0-1). Primary metric for hit discovery.

Type ProteinProteinBindingMetrics

StartedAt Time

formatdate-time

Status PredictionStructureAndBindingGetResponseStatus

One of the following:

const PredictionStructureAndBindingGetResponseStatusPending PredictionStructureAndBindingGetResponseStatus = "pending"

const PredictionStructureAndBindingGetResponseStatusRunning PredictionStructureAndBindingGetResponseStatus = "running"

const PredictionStructureAndBindingGetResponseStatusSucceeded PredictionStructureAndBindingGetResponseStatus = "succeeded"

const PredictionStructureAndBindingGetResponseStatusFailed PredictionStructureAndBindingGetResponseStatus = "failed"

Version string

Model version used for prediction

WorkspaceID string

Workspace ID

IdempotencyKey stringOptional

Client-provided idempotency key

Retrieve a structure and binding prediction

Go

HTTP

TypeScript

Python

Go

CLI Tool

package main

import (
  "context"
  "fmt"

  "github.com/boltz-bio/boltz-api-go"
  "github.com/boltz-bio/boltz-api-go/option"
)

func main() {
  client := boltzapi.NewClient(
    option.WithAPIKey("My API Key"),
  )
  structureAndBinding, err := client.Predictions.StructureAndBinding.Get(
    context.TODO(),
    "sab_pred_2X7Ab9Cd3Ef6Gh1JkLmN",
    boltzapi.PredictionStructureAndBindingGetParams{

    },
  )
  if err != nil {
    panic(err.Error())
  }
  fmt.Printf("%+v\n", structureAndBinding.ID)
}

200 example

{
  "id": "sab_pred_2X7Ab9Cd3Ef6Gh1JkLmN",
  "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",
  "error": {
    "code": "code",
    "message": "message",
    "details": {}
  },
  "expires_at": "2019-12-27T18:11:19.117Z",
  "input": {
    "entities": [
      {
        "chain_ids": [
          "string"
        ],
        "type": "protein",
        "value": "value",
        "cyclic": true,
        "modifications": [
          {
            "residue_index": 0,
            "type": "ccd",
            "value": "value"
          }
        ],
        "msa": {
          "format": "a3m",
          "source": {
            "url": "https://example.com",
            "url_expires_at": "2019-12-27T18:11:19.117Z"
          },
          "type": "custom"
        }
      }
    ],
    "binding": {
      "binder_chain_id": "binder_chain_id",
      "type": "ligand_protein_binding"
    },
    "bonds": [
      {
        "atom1": {
          "atom_name": "atom_name",
          "chain_id": "chain_id",
          "type": "ligand_atom"
        },
        "atom2": {
          "atom_name": "atom_name",
          "chain_id": "chain_id",
          "type": "ligand_atom"
        }
      }
    ],
    "constraints": [
      {
        "binder_chain_id": "binder_chain_id",
        "contact_residues": {
          "A": [
            42,
            43,
            44,
            67,
            68,
            69
          ]
        },
        "max_distance_angstrom": 0,
        "type": "pocket",
        "force": true
      }
    ],
    "model_options": {
      "recycling_steps": 1,
      "sampling_steps": 50,
      "step_scale": 1.3
    },
    "num_samples": 1,
    "templates": [
      {
        "template_chains": [
          {
            "input_chain_id": "input_chain_id",
            "template_chain_id": "template_chain_id"
          }
        ],
        "template_structure": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        },
        "force_threshold_angstroms": 0
      }
    ]
  },
  "livemode": true,
  "model": "boltz-2.1",
  "output": {
    "all_sample_results": [
      {
        "metrics": {
          "complex_ipde": 0,
          "complex_iplddt": 0,
          "complex_pde": 0,
          "complex_plddt": 0,
          "iptm": 0,
          "ligand_iptm": 0,
          "protein_iptm": 0,
          "ptm": 0,
          "structure_confidence": 0
        },
        "structure": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        },
        "ligand_structure": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        }
      }
    ],
    "best_sample": {
      "metrics": {
        "complex_ipde": 0,
        "complex_iplddt": 0,
        "complex_pde": 0,
        "complex_plddt": 0,
        "iptm": 0,
        "ligand_iptm": 0,
        "protein_iptm": 0,
        "ptm": 0,
        "structure_confidence": 0
      },
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "ligand_structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      }
    },
    "archive": {
      "url": "https://example.com",
      "url_expires_at": "2019-12-27T18:11:19.117Z"
    },
    "binding_metrics": {
      "binding_confidence": 0,
      "optimization_score": 0,
      "type": "ligand_protein_binding_metrics"
    }
  },
  "started_at": "2019-12-27T18:11:19.117Z",
  "status": "pending",
  "version": "version",
  "workspace_id": "workspace_id",
  "idempotency_key": "idempotency_key"
}

Returns Examples

200 example

{
  "id": "sab_pred_2X7Ab9Cd3Ef6Gh1JkLmN",
  "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",
  "error": {
    "code": "code",
    "message": "message",
    "details": {}
  },
  "expires_at": "2019-12-27T18:11:19.117Z",
  "input": {
    "entities": [
      {
        "chain_ids": [
          "string"
        ],
        "type": "protein",
        "value": "value",
        "cyclic": true,
        "modifications": [
          {
            "residue_index": 0,
            "type": "ccd",
            "value": "value"
          }
        ],
        "msa": {
          "format": "a3m",
          "source": {
            "url": "https://example.com",
            "url_expires_at": "2019-12-27T18:11:19.117Z"
          },
          "type": "custom"
        }
      }
    ],
    "binding": {
      "binder_chain_id": "binder_chain_id",
      "type": "ligand_protein_binding"
    },
    "bonds": [
      {
        "atom1": {
          "atom_name": "atom_name",
          "chain_id": "chain_id",
          "type": "ligand_atom"
        },
        "atom2": {
          "atom_name": "atom_name",
          "chain_id": "chain_id",
          "type": "ligand_atom"
        }
      }
    ],
    "constraints": [
      {
        "binder_chain_id": "binder_chain_id",
        "contact_residues": {
          "A": [
            42,
            43,
            44,
            67,
            68,
            69
          ]
        },
        "max_distance_angstrom": 0,
        "type": "pocket",
        "force": true
      }
    ],
    "model_options": {
      "recycling_steps": 1,
      "sampling_steps": 50,
      "step_scale": 1.3
    },
    "num_samples": 1,
    "templates": [
      {
        "template_chains": [
          {
            "input_chain_id": "input_chain_id",
            "template_chain_id": "template_chain_id"
          }
        ],
        "template_structure": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        },
        "force_threshold_angstroms": 0
      }
    ]
  },
  "livemode": true,
  "model": "boltz-2.1",
  "output": {
    "all_sample_results": [
      {
        "metrics": {
          "complex_ipde": 0,
          "complex_iplddt": 0,
          "complex_pde": 0,
          "complex_plddt": 0,
          "iptm": 0,
          "ligand_iptm": 0,
          "protein_iptm": 0,
          "ptm": 0,
          "structure_confidence": 0
        },
        "structure": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        },
        "ligand_structure": {
          "url": "https://example.com",
          "url_expires_at": "2019-12-27T18:11:19.117Z"
        }
      }
    ],
    "best_sample": {
      "metrics": {
        "complex_ipde": 0,
        "complex_iplddt": 0,
        "complex_pde": 0,
        "complex_plddt": 0,
        "iptm": 0,
        "ligand_iptm": 0,
        "protein_iptm": 0,
        "ptm": 0,
        "structure_confidence": 0
      },
      "structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      },
      "ligand_structure": {
        "url": "https://example.com",
        "url_expires_at": "2019-12-27T18:11:19.117Z"
      }
    },
    "archive": {
      "url": "https://example.com",
      "url_expires_at": "2019-12-27T18:11:19.117Z"
    },
    "binding_metrics": {
      "binding_confidence": 0,
      "optimization_score": 0,
      "type": "ligand_protein_binding_metrics"
    }
  },
  "started_at": "2019-12-27T18:11:19.117Z",
  "status": "pending",
  "version": "version",
  "workspace_id": "workspace_id",
  "idempotency_key": "idempotency_key"
}