boltz-api 0.41.0 → 0.43.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (22) hide show
  1. package/CHANGELOG.md +16 -0
  2. package/package.json +1 -1
  3. package/resources/predictions/structure-and-binding.d.mts +112 -112
  4. package/resources/predictions/structure-and-binding.d.mts.map +1 -1
  5. package/resources/predictions/structure-and-binding.d.ts +112 -112
  6. package/resources/predictions/structure-and-binding.d.ts.map +1 -1
  7. package/resources/small-molecule/design.d.mts +0 -80
  8. package/resources/small-molecule/design.d.mts.map +1 -1
  9. package/resources/small-molecule/design.d.ts +0 -80
  10. package/resources/small-molecule/design.d.ts.map +1 -1
  11. package/resources/small-molecule/library-screen.d.mts +0 -80
  12. package/resources/small-molecule/library-screen.d.mts.map +1 -1
  13. package/resources/small-molecule/library-screen.d.ts +0 -80
  14. package/resources/small-molecule/library-screen.d.ts.map +1 -1
  15. package/src/resources/predictions/structure-and-binding.ts +112 -116
  16. package/src/resources/small-molecule/design.ts +0 -100
  17. package/src/resources/small-molecule/library-screen.ts +0 -100
  18. package/src/version.ts +1 -1
  19. package/version.d.mts +1 -1
  20. package/version.d.ts +1 -1
  21. package/version.js +1 -1
  22. package/version.mjs +1 -1
package/resources/small-molecule/library-screen.d.ts.map CHANGED
@@ -1 +1 @@
1
- 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package/src/resources/predictions/structure-and-binding.ts CHANGED
@@ -261,9 +261,8 @@ export namespace StructureAndBindingRetrieveResponse {
261
261
 
262
262
  /**
263
263
  * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
264
- * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
265
- * to map request chains to template chains when the IDs differ or when providing
266
- * multi-chain templates.
264
+ * or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
265
+ * request chains to template-file chains.
267
266
  */
268
267
  templates?: Array<Input.Template>;
269
268
  }
@@ -765,40 +764,38 @@ export namespace StructureAndBindingRetrieveResponse {
765
764
  */
766
765
  export interface Template {
767
766
  /**
768
- * Template structure format. Base64 uploads must use media_type chemical/x-cif for
769
- * CIF or chemical/x-pdb for PDB.
767
+ * Request-to-template chain mappings. Each input_chain_id and template_chain_id
768
+ * must be unique within this template.
770
769
  */
771
- format: 'cif' | 'pdb';
770
+ template_chains: Array<Template.TemplateChain>;
772
771
 
773
- source: Template.Source;
772
+ template_structure: Template.TemplateStructure;
774
773
 
775
774
  /**
776
- * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
777
- * chain_id, values refer to input chains; for template_id, values refer to chains
778
- * in the template file.
775
+ * Force the template reference potential with this distance threshold in
776
+ * angstroms. Omit to use the template without force.
779
777
  */
780
- chain_id?: string | Array<string>;
781
-
782
- /**
783
- * Force the template alignment within threshold.
784
- */
785
- force?: boolean;
778
+ force_threshold_angstroms?: number;
779
+ }
786
780
 
781
+ export namespace Template {
787
782
  /**
788
- * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
789
- * chain_id, values refer to input chains; for template_id, values refer to chains
790
- * in the template file.
783
+ * Mapping from one request chain to the corresponding chain in the template
784
+ * structure file.
791
785
  */
792
- template_id?: string | Array<string>;
786
+ export interface TemplateChain {
787
+ /**
788
+ * Chain ID in this prediction request
789
+ */
790
+ input_chain_id: string;
793
791
 
794
- /**
795
- * Distance threshold in angstroms used when force is true.
796
- */
797
- threshold?: number;
798
- }
792
+ /**
793
+ * Corresponding chain ID in the template structure file
794
+ */
795
+ template_chain_id: string;
796
+ }
799
797
 
800
- export namespace Template {
801
- export interface Source {
798
+ export interface TemplateStructure {
802
799
  /**
803
800
  * URL to download the file
804
801
  */
@@ -1267,9 +1264,8 @@ export namespace StructureAndBindingStartResponse {
1267
1264
 
1268
1265
  /**
1269
1266
  * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
1270
- * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
1271
- * to map request chains to template chains when the IDs differ or when providing
1272
- * multi-chain templates.
1267
+ * or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
1268
+ * request chains to template-file chains.
1273
1269
  */
1274
1270
  templates?: Array<Input.Template>;
1275
1271
  }
@@ -1771,40 +1767,38 @@ export namespace StructureAndBindingStartResponse {
1771
1767
  */
1772
1768
  export interface Template {
1773
1769
  /**
1774
- * Template structure format. Base64 uploads must use media_type chemical/x-cif for
1775
- * CIF or chemical/x-pdb for PDB.
1770
+ * Request-to-template chain mappings. Each input_chain_id and template_chain_id
1771
+ * must be unique within this template.
1776
1772
  */
1777
- format: 'cif' | 'pdb';
1773
+ template_chains: Array<Template.TemplateChain>;
1778
1774
 
1779
- source: Template.Source;
1775
+ template_structure: Template.TemplateStructure;
1780
1776
 
1781
1777
  /**
1782
- * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
1783
- * chain_id, values refer to input chains; for template_id, values refer to chains
1784
- * in the template file.
1778
+ * Force the template reference potential with this distance threshold in
1779
+ * angstroms. Omit to use the template without force.
1785
1780
  */
1786
- chain_id?: string | Array<string>;
1787
-
1788
- /**
1789
- * Force the template alignment within threshold.
1790
- */
1791
- force?: boolean;
1781
+ force_threshold_angstroms?: number;
1782
+ }
1792
1783
 
1784
+ export namespace Template {
1793
1785
  /**
1794
- * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
1795
- * chain_id, values refer to input chains; for template_id, values refer to chains
1796
- * in the template file.
1786
+ * Mapping from one request chain to the corresponding chain in the template
1787
+ * structure file.
1797
1788
  */
1798
- template_id?: string | Array<string>;
1789
+ export interface TemplateChain {
1790
+ /**
1791
+ * Chain ID in this prediction request
1792
+ */
1793
+ input_chain_id: string;
1799
1794
 
1800
- /**
1801
- * Distance threshold in angstroms used when force is true.
1802
- */
1803
- threshold?: number;
1804
- }
1795
+ /**
1796
+ * Corresponding chain ID in the template structure file
1797
+ */
1798
+ template_chain_id: string;
1799
+ }
1805
1800
 
1806
- export namespace Template {
1807
- export interface Source {
1801
+ export interface TemplateStructure {
1808
1802
  /**
1809
1803
  * URL to download the file
1810
1804
  */
@@ -2080,9 +2074,8 @@ export namespace StructureAndBindingEstimateCostParams {
2080
2074
 
2081
2075
  /**
2082
2076
  * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
2083
- * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
2084
- * to map request chains to template chains when the IDs differ or when providing
2085
- * multi-chain templates.
2077
+ * or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
2078
+ * request chains to template-file chains.
2086
2079
  */
2087
2080
  templates?: Array<Input.Template>;
2088
2081
  }
@@ -2589,58 +2582,60 @@ export namespace StructureAndBindingEstimateCostParams {
2589
2582
  */
2590
2583
  export interface Template {
2591
2584
  /**
2592
- * Template structure format. Base64 uploads must use media_type chemical/x-cif for
2593
- * CIF or chemical/x-pdb for PDB.
2585
+ * Request-to-template chain mappings. Each input_chain_id and template_chain_id
2586
+ * must be unique within this template.
2594
2587
  */
2595
- format: 'cif' | 'pdb';
2588
+ template_chains: Array<Template.TemplateChain>;
2596
2589
 
2597
2590
  /**
2598
- * How to provide a file to the API
2591
+ * How to provide a template structure file. URLs must point to a CIF or PDB file;
2592
+ * base64 uploads must use chemical/x-cif or chemical/x-pdb.
2599
2593
  */
2600
- source: Template.URLSource | Template.Base64Source;
2594
+ template_structure: Template.URLSource | Template.TemplateStructureBase64Source;
2601
2595
 
2602
2596
  /**
2603
- * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
2604
- * chain_id, values refer to input chains; for template_id, values refer to chains
2605
- * in the template file.
2597
+ * Force the template reference potential with this distance threshold in
2598
+ * angstroms. Omit to use the template without force.
2606
2599
  */
2607
- chain_id?: string | Array<string>;
2608
-
2609
- /**
2610
- * Force the template alignment within threshold.
2611
- */
2612
- force?: boolean;
2600
+ force_threshold_angstroms?: number;
2601
+ }
2613
2602
 
2603
+ export namespace Template {
2614
2604
  /**
2615
- * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
2616
- * chain_id, values refer to input chains; for template_id, values refer to chains
2617
- * in the template file.
2605
+ * Mapping from one request chain to the corresponding chain in the template
2606
+ * structure file.
2618
2607
  */
2619
- template_id?: string | Array<string>;
2608
+ export interface TemplateChain {
2609
+ /**
2610
+ * Chain ID in this prediction request
2611
+ */
2612
+ input_chain_id: string;
2620
2613
 
2621
- /**
2622
- * Distance threshold in angstroms used when force is true.
2623
- */
2624
- threshold?: number;
2625
- }
2614
+ /**
2615
+ * Corresponding chain ID in the template structure file
2616
+ */
2617
+ template_chain_id: string;
2618
+ }
2626
2619
 
2627
- export namespace Template {
2628
2620
  export interface URLSource {
2629
2621
  type: 'url';
2630
2622
 
2631
2623
  url: string;
2632
2624
  }
2633
2625
 
2634
- export interface Base64Source {
2626
+ export interface TemplateStructureBase64Source {
2635
2627
  /**
2636
- * Base64-encoded file contents
2628
+ * Base64-encoded template structure file contents
2637
2629
  */
2638
2630
  data: string;
2639
2631
 
2640
2632
  /**
2641
- * MIME type (e.g., text/csv)
2633
+ * Template structure MIME type
2634
+ *
2635
+ * - `chemical/x-cif` - CIF template structure
2636
+ * - `chemical/x-pdb` - PDB template structure
2642
2637
  */
2643
- media_type: string;
2638
+ media_type: 'chemical/x-cif' | 'chemical/x-pdb';
2644
2639
 
2645
2640
  type: 'base64';
2646
2641
  }
@@ -2704,9 +2699,8 @@ export namespace StructureAndBindingStartParams {
2704
2699
 
2705
2700
  /**
2706
2701
  * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
2707
- * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
2708
- * to map request chains to template chains when the IDs differ or when providing
2709
- * multi-chain templates.
2702
+ * or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
2703
+ * request chains to template-file chains.
2710
2704
  */
2711
2705
  templates?: Array<Input.Template>;
2712
2706
  }
@@ -3213,58 +3207,60 @@ export namespace StructureAndBindingStartParams {
3213
3207
  */
3214
3208
  export interface Template {
3215
3209
  /**
3216
- * Template structure format. Base64 uploads must use media_type chemical/x-cif for
3217
- * CIF or chemical/x-pdb for PDB.
3210
+ * Request-to-template chain mappings. Each input_chain_id and template_chain_id
3211
+ * must be unique within this template.
3218
3212
  */
3219
- format: 'cif' | 'pdb';
3213
+ template_chains: Array<Template.TemplateChain>;
3220
3214
 
3221
3215
  /**
3222
- * How to provide a file to the API
3216
+ * How to provide a template structure file. URLs must point to a CIF or PDB file;
3217
+ * base64 uploads must use chemical/x-cif or chemical/x-pdb.
3223
3218
  */
3224
- source: Template.URLSource | Template.Base64Source;
3219
+ template_structure: Template.URLSource | Template.TemplateStructureBase64Source;
3225
3220
 
3226
3221
  /**
3227
- * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
3228
- * chain_id, values refer to input chains; for template_id, values refer to chains
3229
- * in the template file.
3222
+ * Force the template reference potential with this distance threshold in
3223
+ * angstroms. Omit to use the template without force.
3230
3224
  */
3231
- chain_id?: string | Array<string>;
3232
-
3233
- /**
3234
- * Force the template alignment within threshold.
3235
- */
3236
- force?: boolean;
3225
+ force_threshold_angstroms?: number;
3226
+ }
3237
3227
 
3228
+ export namespace Template {
3238
3229
  /**
3239
- * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
3240
- * chain_id, values refer to input chains; for template_id, values refer to chains
3241
- * in the template file.
3230
+ * Mapping from one request chain to the corresponding chain in the template
3231
+ * structure file.
3242
3232
  */
3243
- template_id?: string | Array<string>;
3233
+ export interface TemplateChain {
3234
+ /**
3235
+ * Chain ID in this prediction request
3236
+ */
3237
+ input_chain_id: string;
3244
3238
 
3245
- /**
3246
- * Distance threshold in angstroms used when force is true.
3247
- */
3248
- threshold?: number;
3249
- }
3239
+ /**
3240
+ * Corresponding chain ID in the template structure file
3241
+ */
3242
+ template_chain_id: string;
3243
+ }
3250
3244
 
3251
- export namespace Template {
3252
3245
  export interface URLSource {
3253
3246
  type: 'url';
3254
3247
 
3255
3248
  url: string;
3256
3249
  }
3257
3250
 
3258
- export interface Base64Source {
3251
+ export interface TemplateStructureBase64Source {
3259
3252
  /**
3260
- * Base64-encoded file contents
3253
+ * Base64-encoded template structure file contents
3261
3254
  */
3262
3255
  data: string;
3263
3256
 
3264
3257
  /**
3265
- * MIME type (e.g., text/csv)
3258
+ * Template structure MIME type
3259
+ *
3260
+ * - `chemical/x-cif` - CIF template structure
3261
+ * - `chemical/x-pdb` - PDB template structure
3266
3262
  */
3267
- media_type: string;
3263
+ media_type: 'chemical/x-cif' | 'chemical/x-pdb';
3268
3264
 
3269
3265
  type: 'base64';
3270
3266
  }