## Estimate Cost `client.Protein.LibraryScreen.EstimateCost(ctx, body) (*ProteinLibraryScreenEstimateCostResponse, error)` **post** `/compute/v1/protein/library-screen/estimate-cost` Estimate the cost of a protein library screen without creating any resource or consuming GPU. ### Parameters - `body ProteinLibraryScreenEstimateCostParams` - `Proteins param.Field[[]ProteinLibraryScreenEstimateCostParamsProtein]` List of protein entries to screen. - `Entities []ProteinLibraryScreenEstimateCostParamsProteinEntityUnion` Entities that make up this protein complex - `type ProteinLibraryScreenEstimateCostParamsProteinEntityProteinEntity struct{…}` - `ChainIDs []string` Chain IDs for this entity - `Type Protein` - `const ProteinProtein Protein = "protein"` - `Value string` Amino acid sequence (one-letter codes) - `Cyclic bool` Whether the sequence is cyclic - `Modifications []ProteinLibraryScreenEstimateCostParamsProteinEntityProteinEntityModificationUnion` Post-translational modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenEstimateCostParamsProteinEntityProteinEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenEstimateCostParamsProteinEntityProteinEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenEstimateCostParamsProteinEntityRnaEntity struct{…}` - `ChainIDs []string` Chain IDs for this entity - `Type Rna` - `const RnaRna Rna = "rna"` - `Value string` RNA nucleotide sequence (A, C, G, U, N) - `Cyclic bool` Whether the sequence is cyclic - `Modifications []ProteinLibraryScreenEstimateCostParamsProteinEntityRnaEntityModificationUnion` Chemical modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenEstimateCostParamsProteinEntityRnaEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenEstimateCostParamsProteinEntityRnaEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenEstimateCostParamsProteinEntityDnaEntity struct{…}` - `ChainIDs []string` Chain IDs for this entity - `Type Dna` - `const DnaDna Dna = "dna"` - `Value string` DNA nucleotide sequence (A, C, G, T, N) - `Cyclic bool` Whether the sequence is cyclic - `Modifications []ProteinLibraryScreenEstimateCostParamsProteinEntityDnaEntityModificationUnion` Chemical modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenEstimateCostParamsProteinEntityDnaEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenEstimateCostParamsProteinEntityDnaEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenEstimateCostParamsProteinEntityLigandCcdEntity struct{…}` - `ChainIDs []string` Chain IDs for this ligand - `Type LigandCcd` - `const LigandCcdLigandCcd LigandCcd = "ligand_ccd"` - `Value string` CCD code (e.g., ATP, ADP) - `type ProteinLibraryScreenEstimateCostParamsProteinEntityLigandSmilesEntity struct{…}` - `ChainIDs []string` Chain IDs for this ligand - `Type LigandSmiles` - `const LigandSmilesLigandSmiles LigandSmiles = "ligand_smiles"` - `Value string` SMILES string representing the ligand - `ID string` Optional client-provided identifier for this entry - `Target param.Field[ProteinLibraryScreenEstimateCostParamsTargetUnion]` Target specification (structure template or template-free) - `type ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTarget struct{…}` Target defined by an uploaded 3D structure (CIF or PDB file). Only chains included in chain_selection are used. - `ChainSelection map[string, ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetChainSelectionUnion]` 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. - `type ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpec struct{…}` Per-chain specification for a polymer (protein/RNA/DNA) chain in a structure template target. - `ChainType Polymer` - `const PolymerPolymer Polymer = "polymer"` - `CropResidues ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesUnion` 0-indexed residue indices to retain from this chain, or 'all' to keep all residues. Residues not listed are excluded from the engine run. - `type ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesArray []int64` 0-indexed residue indices to keep - `type All string` - `const AllAll All = "all"` - `EpitopeResidues []int64` 0-indexed residue indices where binder contact is desired (the epitope). All indices must be present in crop_residues. - `FlexibleResidues []int64` 0-indexed residue indices allowed to move during design (e.g. flexible loop regions). All indices must be present in crop_residues. - `type ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetLigandChainSpec struct{…}` Per-chain specification for a ligand chain in a structure template target. The full ligand is always included. - `ChainType Ligand` - `const LigandLigand Ligand = "ligand"` - `Structure ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetStructureUnion` How to provide a CIF structure file. URLs are auto-detected; base64 uploads must use chemical/x-cif media type. - `type ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetStructureURLSource struct{…}` - `Type URL` - `const URLURL URL = "url"` - `URL string` - `type ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetStructureCifBase64Source struct{…}` - `Data string` Base64-encoded CIF file contents - `MediaType ChemicalXCif` Must be chemical/x-cif for CIF files - `const ChemicalXCifChemicalXCif ChemicalXCif = "chemical/x-cif"` - `Type Base64` - `const Base64Base64 Base64 = "base64"` - `Type StructureTemplate` - `const StructureTemplateStructureTemplate StructureTemplate = "structure_template"` - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTarget struct{…}` Target defined by sequences only, without a 3D structure template - `Entities []ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityUnion` Entities (proteins, RNA, DNA, ligands) defining the target complex. - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityProteinEntity struct{…}` - `ChainIDs []string` Chain IDs for this entity - `Type Protein` - `const ProteinProtein Protein = "protein"` - `Value string` Amino acid sequence (one-letter codes) - `Cyclic bool` Whether the sequence is cyclic - `Modifications []ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityProteinEntityModificationUnion` Post-translational modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityProteinEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityProteinEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityRnaEntity struct{…}` - `ChainIDs []string` Chain IDs for this entity - `Type Rna` - `const RnaRna Rna = "rna"` - `Value string` RNA nucleotide sequence (A, C, G, U, N) - `Cyclic bool` Whether the sequence is cyclic - `Modifications []ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityRnaEntityModificationUnion` Chemical modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityRnaEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityRnaEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityDnaEntity struct{…}` - `ChainIDs []string` Chain IDs for this entity - `Type Dna` - `const DnaDna Dna = "dna"` - `Value string` DNA nucleotide sequence (A, C, G, T, N) - `Cyclic bool` Whether the sequence is cyclic - `Modifications []ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityDnaEntityModificationUnion` Chemical modifications. Optional; defaults to an empty list when omitted. - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityDnaEntityModificationCcdModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Ccd` - `const CcdCcd Ccd = "ccd"` - `Value string` CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for phosphoserine) - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityDnaEntityModificationSmilesModification struct{…}` - `ResidueIndex int64` 0-based index of the residue to modify - `Type Smiles` - `const SmilesSmiles Smiles = "smiles"` - `Value string` SMILES string for the modification - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityLigandCcdEntity struct{…}` - `ChainIDs []string` Chain IDs for this ligand - `Type LigandCcd` - `const LigandCcdLigandCcd LigandCcd = "ligand_ccd"` - `Value string` CCD code (e.g., ATP, ADP) - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetEntityLigandSmilesEntity struct{…}` - `ChainIDs []string` Chain IDs for this ligand - `Type LigandSmiles` - `const LigandSmilesLigandSmiles LigandSmiles = "ligand_smiles"` - `Value string` SMILES string representing the ligand - `Type NoTemplate` - `const NoTemplateNoTemplate NoTemplate = "no_template"` - `Bonds []ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetBond` Covalent bond constraints between atoms in the target complex. Atom-level ligand references currently support ligand_ccd only; ligand_smiles is unsupported. - `Atom1 ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetBondAtom1Union` Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetBondAtom1LigandAtom 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` - `const LigandAtomLigandAtom LigandAtom = "ligand_atom"` - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetBondAtom1PolymerAtom 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 - `Type PolymerAtom` - `const PolymerAtomPolymerAtom PolymerAtom = "polymer_atom"` - `Atom2 ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetBondAtom2Union` Ligand atom reference. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetBondAtom2LigandAtom 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` - `const LigandAtomLigandAtom LigandAtom = "ligand_atom"` - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetBondAtom2PolymerAtom 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 - `Type PolymerAtom` - `const PolymerAtomPolymerAtom PolymerAtom = "polymer_atom"` - `Constraints []ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetConstraintUnion` Structural constraints (pocket and contact). Atom-level ligand references currently support ligand_ccd only; ligand_smiles is unsupported. - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetConstraintPocketConstraint 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` - `const PocketPocket Pocket = "pocket"` - `Force bool` Whether to force the constraint - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetConstraintContactConstraint 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 ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetConstraintContactConstraintToken1Union` Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetConstraintContactConstraintToken1PolymerContactToken struct{…}` - `ChainID string` Chain ID - `ResidueIndex int64` 0-based residue index - `Type PolymerContact` - `const PolymerContactPolymerContact PolymerContact = "polymer_contact"` - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetConstraintContactConstraintToken1LigandContactToken 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` - `const LigandContactLigandContact LigandContact = "ligand_contact"` - `Token2 ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetConstraintContactConstraintToken2Union` Ligand contact token. Atom-level ligand references currently support ligand_ccd entities only; ligand_smiles is unsupported. - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetConstraintContactConstraintToken2PolymerContactToken struct{…}` - `ChainID string` Chain ID - `ResidueIndex int64` 0-based residue index - `Type PolymerContact` - `const PolymerContactPolymerContact PolymerContact = "polymer_contact"` - `type ProteinLibraryScreenEstimateCostParamsTargetNoTemplateTargetConstraintContactConstraintToken2LigandContactToken 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` - `const LigandContactLigandContact LigandContact = "ligand_contact"` - `Type Contact` - `const ContactContact Contact = "contact"` - `Force bool` Whether to force the constraint - `EpitopeLigandChains []string` Chain IDs of ligand entities that are part of the binding epitope. Ligands are marked as epitope in full (no residue-level selection). - `EpitopeResidues map[string, []int64]` 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. - `IdempotencyKey param.Field[string]` Client-provided key to prevent duplicate submissions on retries - `WorkspaceID param.Field[string]` Target workspace ID (admin keys only; ignored for workspace keys) ### Returns - `type ProteinLibraryScreenEstimateCostResponse struct{…}` Estimate response with monetary values encoded as decimal strings to preserve precision. - `Breakdown ProteinLibraryScreenEstimateCostResponseBreakdown` Cost breakdown for the billed application. - `Application ProteinLibraryScreenEstimateCostResponseBreakdownApplication` - `const ProteinLibraryScreenEstimateCostResponseBreakdownApplicationStructureAndBinding ProteinLibraryScreenEstimateCostResponseBreakdownApplication = "structure_and_binding"` - `const ProteinLibraryScreenEstimateCostResponseBreakdownApplicationSmallMoleculeDesign ProteinLibraryScreenEstimateCostResponseBreakdownApplication = "small_molecule_design"` - `const ProteinLibraryScreenEstimateCostResponseBreakdownApplicationSmallMoleculeLibraryScreen ProteinLibraryScreenEstimateCostResponseBreakdownApplication = "small_molecule_library_screen"` - `const ProteinLibraryScreenEstimateCostResponseBreakdownApplicationProteinDesign ProteinLibraryScreenEstimateCostResponseBreakdownApplication = "protein_design"` - `const ProteinLibraryScreenEstimateCostResponseBreakdownApplicationProteinLibraryScreen ProteinLibraryScreenEstimateCostResponseBreakdownApplication = "protein_library_screen"` - `const ProteinLibraryScreenEstimateCostResponseBreakdownApplicationAdme ProteinLibraryScreenEstimateCostResponseBreakdownApplication = "adme"` - `CostPerUnitUsd 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. - `NumUnits int64` Number of units shown for the estimate. For structure-and-binding, this is the requested number of samples. For protein and small-molecule design/screen endpoints, this is the requested number of proteins or molecules. - `Disclaimer string` - `EstimatedCostUsd string` Estimated total cost as a decimal string ### Example ```go 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"), ) response, err := client.Protein.LibraryScreen.EstimateCost(context.TODO(), boltzapi.ProteinLibraryScreenEstimateCostParams{ Proteins: []boltzapi.ProteinLibraryScreenEstimateCostParamsProtein{boltzapi.ProteinLibraryScreenEstimateCostParamsProtein{ Entities: []boltzapi.ProteinLibraryScreenEstimateCostParamsProteinEntityUnion{boltzapi.ProteinLibraryScreenEstimateCostParamsProteinEntityUnion{ OfProteinLibraryScreenEstimateCostsProteinEntityProteinEntity: &boltzapi.ProteinLibraryScreenEstimateCostParamsProteinEntityProteinEntity{ ChainIDs: []string{"string"}, Value: "value", }, }}, }}, Target: boltzapi.ProteinLibraryScreenEstimateCostParamsTargetUnion{ OfProteinLibraryScreenEstimateCostsTargetStructureTemplateTarget: &boltzapi.ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTarget{ ChainSelection: map[string]boltzapi.ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetChainSelectionUnion{ "A": boltzapi.ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetChainSelectionUnion{ OfProteinLibraryScreenEstimateCostsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpec: &boltzapi.ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpec{ CropResidues: boltzapi.ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetChainSelectionStructureTemplateTargetPolymerChainSpecCropResiduesUnion{ OfIntArray: []int64{0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12}, }, }, }, }, Structure: boltzapi.ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetStructureUnion{ OfProteinLibraryScreenEstimateCostsTargetStructureTemplateTargetStructureURLSource: &boltzapi.ProteinLibraryScreenEstimateCostParamsTargetStructureTemplateTargetStructureURLSource{ URL: "https://example.com", }, }, }, }, }) if err != nil { panic(err.Error()) } fmt.Printf("%+v\n", response.Breakdown) } ```