boltz-api 0.41.0 → 0.43.0

package/resources/predictions/structure-and-binding.d.ts

@@ -191,9 +191,8 @@ export declare namespace StructureAndBindingRetrieveResponse {
         num_samples?: number;
         /**
          * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
-         * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
-         * to map request chains to template chains when the IDs differ or when providing
-         * multi-chain templates.
+         * or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
+         * request chains to template-file chains.
          */
         templates?: Array<Input.Template>;
     }
@@ -608,34 +607,33 @@ export declare namespace StructureAndBindingRetrieveResponse {
          */
         interface Template {
             /**
-             * Template structure format. Base64 uploads must use media_type chemical/x-cif for
-             * CIF or chemical/x-pdb for PDB.
+             * Request-to-template chain mappings. Each input_chain_id and template_chain_id
+             * must be unique within this template.
              */
-            format: 'cif' | 'pdb';
-            source: Template.Source;
+            template_chains: Array<Template.TemplateChain>;
+            template_structure: Template.TemplateStructure;
             /**
-             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
-             * chain_id, values refer to input chains; for template_id, values refer to chains
-             * in the template file.
+             * Force the template reference potential with this distance threshold in
+             * angstroms. Omit to use the template without force.
              */
-            chain_id?: string | Array<string>;
-            /**
-             * Force the template alignment within threshold.
-             */
-            force?: boolean;
-            /**
-             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
-             * chain_id, values refer to input chains; for template_id, values refer to chains
-             * in the template file.
-             */
-            template_id?: string | Array<string>;
-            /**
-             * Distance threshold in angstroms used when force is true.
-             */
-            threshold?: number;
+            force_threshold_angstroms?: number;
         }
         namespace Template {
-            interface Source {
+            /**
+             * Mapping from one request chain to the corresponding chain in the template
+             * structure file.
+             */
+            interface TemplateChain {
+                /**
+                 * Chain ID in this prediction request
+                 */
+                input_chain_id: string;
+                /**
+                 * Corresponding chain ID in the template structure file
+                 */
+                template_chain_id: string;
+            }
+            interface TemplateStructure {
                 /**
                  * URL to download the file
                  */
@@ -1003,9 +1001,8 @@ export declare namespace StructureAndBindingStartResponse {
         num_samples?: number;
         /**
          * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
-         * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
-         * to map request chains to template chains when the IDs differ or when providing
-         * multi-chain templates.
+         * or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
+         * request chains to template-file chains.
          */
         templates?: Array<Input.Template>;
     }
@@ -1420,34 +1417,33 @@ export declare namespace StructureAndBindingStartResponse {
          */
         interface Template {
             /**
-             * Template structure format. Base64 uploads must use media_type chemical/x-cif for
-             * CIF or chemical/x-pdb for PDB.
+             * Request-to-template chain mappings. Each input_chain_id and template_chain_id
+             * must be unique within this template.
              */
-            format: 'cif' | 'pdb';
-            source: Template.Source;
+            template_chains: Array<Template.TemplateChain>;
+            template_structure: Template.TemplateStructure;
             /**
-             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
-             * chain_id, values refer to input chains; for template_id, values refer to chains
-             * in the template file.
+             * Force the template reference potential with this distance threshold in
+             * angstroms. Omit to use the template without force.
              */
-            chain_id?: string | Array<string>;
-            /**
-             * Force the template alignment within threshold.
-             */
-            force?: boolean;
-            /**
-             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
-             * chain_id, values refer to input chains; for template_id, values refer to chains
-             * in the template file.
-             */
-            template_id?: string | Array<string>;
-            /**
-             * Distance threshold in angstroms used when force is true.
-             */
-            threshold?: number;
+            force_threshold_angstroms?: number;
         }
         namespace Template {
-            interface Source {
+            /**
+             * Mapping from one request chain to the corresponding chain in the template
+             * structure file.
+             */
+            interface TemplateChain {
+                /**
+                 * Chain ID in this prediction request
+                 */
+                input_chain_id: string;
+                /**
+                 * Corresponding chain ID in the template structure file
+                 */
+                template_chain_id: string;
+            }
+            interface TemplateStructure {
                 /**
                  * URL to download the file
                  */
@@ -1666,9 +1662,8 @@ export declare namespace StructureAndBindingEstimateCostParams {
         num_samples?: number;
         /**
          * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
-         * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
-         * to map request chains to template chains when the IDs differ or when providing
-         * multi-chain templates.
+         * or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
+         * request chains to template-file chains.
          */
         templates?: Array<Input.Template>;
     }
@@ -2091,49 +2086,52 @@ export declare namespace StructureAndBindingEstimateCostParams {
          */
         interface Template {
             /**
-             * Template structure format. Base64 uploads must use media_type chemical/x-cif for
-             * CIF or chemical/x-pdb for PDB.
+             * Request-to-template chain mappings. Each input_chain_id and template_chain_id
+             * must be unique within this template.
              */
-            format: 'cif' | 'pdb';
+            template_chains: Array<Template.TemplateChain>;
             /**
-             * How to provide a file to the API
+             * How to provide a template structure file. URLs must point to a CIF or PDB file;
+             * base64 uploads must use chemical/x-cif or chemical/x-pdb.
              */
-            source: Template.URLSource | Template.Base64Source;
+            template_structure: Template.URLSource | Template.TemplateStructureBase64Source;
             /**
-             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
-             * chain_id, values refer to input chains; for template_id, values refer to chains
-             * in the template file.
+             * Force the template reference potential with this distance threshold in
+             * angstroms. Omit to use the template without force.
              */
-            chain_id?: string | Array<string>;
-            /**
-             * Force the template alignment within threshold.
-             */
-            force?: boolean;
-            /**
-             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
-             * chain_id, values refer to input chains; for template_id, values refer to chains
-             * in the template file.
-             */
-            template_id?: string | Array<string>;
-            /**
-             * Distance threshold in angstroms used when force is true.
-             */
-            threshold?: number;
+            force_threshold_angstroms?: number;
         }
         namespace Template {
+            /**
+             * Mapping from one request chain to the corresponding chain in the template
+             * structure file.
+             */
+            interface TemplateChain {
+                /**
+                 * Chain ID in this prediction request
+                 */
+                input_chain_id: string;
+                /**
+                 * Corresponding chain ID in the template structure file
+                 */
+                template_chain_id: string;
+            }
             interface URLSource {
                 type: 'url';
                 url: string;
             }
-            interface Base64Source {
+            interface TemplateStructureBase64Source {
                 /**
-                 * Base64-encoded file contents
+                 * Base64-encoded template structure file contents
                  */
                 data: string;
                 /**
-                 * MIME type (e.g., text/csv)
+                 * Template structure MIME type
+                 *
+                 * - `chemical/x-cif` - CIF template structure
+                 * - `chemical/x-pdb` - PDB template structure
                  */
-                media_type: string;
+                media_type: 'chemical/x-cif' | 'chemical/x-pdb';
                 type: 'base64';
             }
         }
@@ -2179,9 +2177,8 @@ export declare namespace StructureAndBindingStartParams {
         num_samples?: number;
         /**
          * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
-         * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
-         * to map request chains to template chains when the IDs differ or when providing
-         * multi-chain templates.
+         * or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
+         * request chains to template-file chains.
          */
         templates?: Array<Input.Template>;
     }
@@ -2604,49 +2601,52 @@ export declare namespace StructureAndBindingStartParams {
          */
         interface Template {
             /**
-             * Template structure format. Base64 uploads must use media_type chemical/x-cif for
-             * CIF or chemical/x-pdb for PDB.
+             * Request-to-template chain mappings. Each input_chain_id and template_chain_id
+             * must be unique within this template.
              */
-            format: 'cif' | 'pdb';
+            template_chains: Array<Template.TemplateChain>;
             /**
-             * How to provide a file to the API
+             * How to provide a template structure file. URLs must point to a CIF or PDB file;
+             * base64 uploads must use chemical/x-cif or chemical/x-pdb.
              */
-            source: Template.URLSource | Template.Base64Source;
+            template_structure: Template.URLSource | Template.TemplateStructureBase64Source;
             /**
-             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
-             * chain_id, values refer to input chains; for template_id, values refer to chains
-             * in the template file.
+             * Force the template reference potential with this distance threshold in
+             * angstroms. Omit to use the template without force.
              */
-            chain_id?: string | Array<string>;
-            /**
-             * Force the template alignment within threshold.
-             */
-            force?: boolean;
-            /**
-             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
-             * chain_id, values refer to input chains; for template_id, values refer to chains
-             * in the template file.
-             */
-            template_id?: string | Array<string>;
-            /**
-             * Distance threshold in angstroms used when force is true.
-             */
-            threshold?: number;
+            force_threshold_angstroms?: number;
         }
         namespace Template {
+            /**
+             * Mapping from one request chain to the corresponding chain in the template
+             * structure file.
+             */
+            interface TemplateChain {
+                /**
+                 * Chain ID in this prediction request
+                 */
+                input_chain_id: string;
+                /**
+                 * Corresponding chain ID in the template structure file
+                 */
+                template_chain_id: string;
+            }
             interface URLSource {
                 type: 'url';
                 url: string;
             }
-            interface Base64Source {
+            interface TemplateStructureBase64Source {
                 /**
-                 * Base64-encoded file contents
+                 * Base64-encoded template structure file contents
                  */
                 data: string;
                 /**
-                 * MIME type (e.g., text/csv)
+                 * Template structure MIME type
+                 *
+                 * - `chemical/x-cif` - CIF template structure
+                 * - `chemical/x-pdb` - PDB template structure
                  */
-                media_type: string;
+                media_type: 'chemical/x-cif' | 'chemical/x-pdb';
                 type: 'base64';
             }
         }

package/resources/predictions/structure-and-binding.d.ts.map

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package/resources/small-molecule/design.d.mts

@@ -236,12 +236,6 @@ export declare namespace DesignRetrieveResponse {
             pocket_residues?: {
                 [key: string]: Array<number>;
             };
-            /**
-             * Precomputed affinity-pocket artifacts for this target. When provided,
-             * small-molecule design/screen pipelines reuse this pocket and skip Compute
-             * affinity pocket search.
-             */
-            precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
             /**
              * Reference ligands as SMILES strings that help the model identify the binding
              * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -484,16 +478,6 @@ export declare namespace DesignRetrieveResponse {
                     type: 'ligand_contact';
                 }
             }
-            /**
-             * Precomputed affinity-pocket artifacts for this target. When provided,
-             * small-molecule design/screen pipelines reuse this pocket and skip Compute
-             * affinity pocket search.
-             */
-            interface PrecomputedAffinityPocket {
-                method: 'reference_ligands' | 'residue_ids';
-                pocket_file_url: string;
-                structure_file_url: string;
-            }
         }
         /**
          * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -1137,12 +1121,6 @@ export declare namespace DesignStartResponse {
             pocket_residues?: {
                 [key: string]: Array<number>;
             };
-            /**
-             * Precomputed affinity-pocket artifacts for this target. When provided,
-             * small-molecule design/screen pipelines reuse this pocket and skip Compute
-             * affinity pocket search.
-             */
-            precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
             /**
              * Reference ligands as SMILES strings that help the model identify the binding
              * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -1385,16 +1363,6 @@ export declare namespace DesignStartResponse {
                     type: 'ligand_contact';
                 }
             }
-            /**
-             * Precomputed affinity-pocket artifacts for this target. When provided,
-             * small-molecule design/screen pipelines reuse this pocket and skip Compute
-             * affinity pocket search.
-             */
-            interface PrecomputedAffinityPocket {
-                method: 'reference_ligands' | 'residue_ids';
-                pocket_file_url: string;
-                structure_file_url: string;
-            }
         }
         /**
          * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -1799,12 +1767,6 @@ export declare namespace DesignStopResponse {
             pocket_residues?: {
                 [key: string]: Array<number>;
             };
-            /**
-             * Precomputed affinity-pocket artifacts for this target. When provided,
-             * small-molecule design/screen pipelines reuse this pocket and skip Compute
-             * affinity pocket search.
-             */
-            precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
             /**
              * Reference ligands as SMILES strings that help the model identify the binding
              * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -2047,16 +2009,6 @@ export declare namespace DesignStopResponse {
                     type: 'ligand_contact';
                 }
             }
-            /**
-             * Precomputed affinity-pocket artifacts for this target. When provided,
-             * small-molecule design/screen pipelines reuse this pocket and skip Compute
-             * affinity pocket search.
-             */
-            interface PrecomputedAffinityPocket {
-                method: 'reference_ligands' | 'residue_ids';
-                pocket_file_url: string;
-                structure_file_url: string;
-            }
         }
         /**
          * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -2413,12 +2365,6 @@ export declare namespace DesignEstimateCostParams {
         pocket_residues?: {
             [key: string]: Array<number>;
         };
-        /**
-         * Precomputed affinity-pocket artifacts for this target. When provided,
-         * small-molecule design/screen pipelines reuse this pocket and skip Compute
-         * affinity pocket search.
-         */
-        precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
         /**
          * Reference ligands as SMILES strings that help the model identify the binding
          * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -2661,16 +2607,6 @@ export declare namespace DesignEstimateCostParams {
                 type: 'ligand_contact';
             }
         }
-        /**
-         * Precomputed affinity-pocket artifacts for this target. When provided,
-         * small-molecule design/screen pipelines reuse this pocket and skip Compute
-         * affinity pocket search.
-         */
-        interface PrecomputedAffinityPocket {
-            method: 'reference_ligands' | 'residue_ids';
-            pocket_file_url: string;
-            structure_file_url: string;
-        }
     }
     /**
      * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -3004,12 +2940,6 @@ export declare namespace DesignStartParams {
         pocket_residues?: {
             [key: string]: Array<number>;
         };
-        /**
-         * Precomputed affinity-pocket artifacts for this target. When provided,
-         * small-molecule design/screen pipelines reuse this pocket and skip Compute
-         * affinity pocket search.
-         */
-        precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
         /**
          * Reference ligands as SMILES strings that help the model identify the binding
          * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -3252,16 +3182,6 @@ export declare namespace DesignStartParams {
                 type: 'ligand_contact';
             }
         }
-        /**
-         * Precomputed affinity-pocket artifacts for this target. When provided,
-         * small-molecule design/screen pipelines reuse this pocket and skip Compute
-         * affinity pocket search.
-         */
-        interface PrecomputedAffinityPocket {
-            method: 'reference_ligands' | 'residue_ids';
-            pocket_file_url: string;
-            structure_file_url: string;
-        }
     }
     /**
      * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering