boltz-api 0.40.0 → 0.42.0

package/CHANGELOG.md

@@ -1,5 +1,21 @@
 # Changelog
 
+## 0.42.0 (2026-06-09)
+
+Full Changelog: [v0.41.0...v0.42.0](https://github.com/boltz-bio/boltz-api-typescript/compare/v0.41.0...v0.42.0)
+
+### Features
+
+* **compute:** canonicalize Boltz template inputs ([c90f94c](https://github.com/boltz-bio/boltz-api-typescript/commit/c90f94ca828ccba9c1c8d2e2fc1c553f07243097))
+
+## 0.41.0 (2026-06-05)
+
+Full Changelog: [v0.40.0...v0.41.0](https://github.com/boltz-bio/boltz-api-typescript/compare/v0.40.0...v0.41.0)
+
+### Features
+
+* **lab:** reuse precomputed small molecule pockets ([3960cc8](https://github.com/boltz-bio/boltz-api-typescript/commit/3960cc8b9b172ca27e8d97f50608fa83bf16ca4a))
+
 ## 0.40.0 (2026-06-04)
 
 Full Changelog: [v0.39.3...v0.40.0](https://github.com/boltz-bio/boltz-api-typescript/compare/v0.39.3...v0.40.0)

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "boltz-api",
-  "version": "0.40.0",
+  "version": "0.42.0",
   "description": "The official TypeScript library for the Boltz API",
   "author": "Boltz <contact@boltz.bio>",
   "types": "./index.d.ts",

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

@@ -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 +607,36 @@ 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;
-            /**
-             * 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.
-             */
-            chain_id?: string | Array<string>;
+            template_chains: Array<Template.TemplateChain>;
+            template_structure: Template.TemplateStructure;
             /**
              * 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;
         }
         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 +1004,8 @@ 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 +1420,36 @@ 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;
-            /**
-             * 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.
-             */
-            chain_id?: string | Array<string>;
+            template_chains: Array<Template.TemplateChain>;
+            template_structure: Template.TemplateStructure;
             /**
              * 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;
         }
         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 +1668,8 @@ 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 +2092,55 @@ 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;
-            /**
-             * 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.
-             */
-            chain_id?: string | Array<string>;
+            template_structure: Template.URLSource | Template.TemplateStructureBase64Source;
             /**
              * 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;
         }
         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 +2186,8 @@ 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 +2610,55 @@ 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;
-            /**
-             * 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.
-             */
-            chain_id?: string | Array<string>;
+            template_structure: Template.URLSource | Template.TemplateStructureBase64Source;
             /**
              * 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;
         }
         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.mts.map

@@ -1 +1 @@
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