boltz-api 0.40.0 → 0.42.0

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 (27) hide show
  1. package/CHANGELOG.md +16 -0
  2. package/package.json +1 -1
  3. package/resources/predictions/structure-and-binding.d.mts +100 -88
  4. package/resources/predictions/structure-and-binding.d.mts.map +1 -1
  5. package/resources/predictions/structure-and-binding.d.ts +100 -88
  6. package/resources/predictions/structure-and-binding.d.ts.map +1 -1
  7. package/resources/protein/design.d.mts +0 -40
  8. package/resources/protein/design.d.mts.map +1 -1
  9. package/resources/protein/design.d.ts +0 -40
  10. package/resources/protein/design.d.ts.map +1 -1
  11. package/resources/small-molecule/design.d.mts +80 -40
  12. package/resources/small-molecule/design.d.mts.map +1 -1
  13. package/resources/small-molecule/design.d.ts +80 -40
  14. package/resources/small-molecule/design.d.ts.map +1 -1
  15. package/resources/small-molecule/library-screen.d.mts +80 -0
  16. package/resources/small-molecule/library-screen.d.mts.map +1 -1
  17. package/resources/small-molecule/library-screen.d.ts +80 -0
  18. package/resources/small-molecule/library-screen.d.ts.map +1 -1
  19. package/src/resources/predictions/structure-and-binding.ts +108 -96
  20. package/src/resources/protein/design.ts +0 -48
  21. package/src/resources/small-molecule/design.ts +100 -48
  22. package/src/resources/small-molecule/library-screen.ts +100 -0
  23. package/src/version.ts +1 -1
  24. package/version.d.mts +1 -1
  25. package/version.d.ts +1 -1
  26. package/version.js +1 -1
  27. 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
  }
@@ -765,32 +764,18 @@ 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;
774
-
775
- /**
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.
779
- */
780
- chain_id?: string | Array<string>;
772
+ template_structure: Template.TemplateStructure;
781
773
 
782
774
  /**
783
775
  * Force the template alignment within threshold.
784
776
  */
785
777
  force?: boolean;
786
778
 
787
- /**
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.
791
- */
792
- template_id?: string | Array<string>;
793
-
794
779
  /**
795
780
  * Distance threshold in angstroms used when force is true.
796
781
  */
@@ -798,7 +783,23 @@ export namespace StructureAndBindingRetrieveResponse {
798
783
  }
799
784
 
800
785
  export namespace Template {
801
- export interface Source {
786
+ /**
787
+ * Mapping from one request chain to the corresponding chain in the template
788
+ * structure file.
789
+ */
790
+ export interface TemplateChain {
791
+ /**
792
+ * Chain ID in this prediction request
793
+ */
794
+ input_chain_id: string;
795
+
796
+ /**
797
+ * Corresponding chain ID in the template structure file
798
+ */
799
+ template_chain_id: string;
800
+ }
801
+
802
+ export interface TemplateStructure {
802
803
  /**
803
804
  * URL to download the file
804
805
  */
@@ -1267,9 +1268,8 @@ export namespace StructureAndBindingStartResponse {
1267
1268
 
1268
1269
  /**
1269
1270
  * 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.
1271
+ * or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
1272
+ * request chains to template-file chains.
1273
1273
  */
1274
1274
  templates?: Array<Input.Template>;
1275
1275
  }
@@ -1771,32 +1771,18 @@ export namespace StructureAndBindingStartResponse {
1771
1771
  */
1772
1772
  export interface Template {
1773
1773
  /**
1774
- * Template structure format. Base64 uploads must use media_type chemical/x-cif for
1775
- * CIF or chemical/x-pdb for PDB.
1774
+ * Request-to-template chain mappings. Each input_chain_id and template_chain_id
1775
+ * must be unique within this template.
1776
1776
  */
1777
- format: 'cif' | 'pdb';
1777
+ template_chains: Array<Template.TemplateChain>;
1778
1778
 
1779
- source: Template.Source;
1780
-
1781
- /**
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.
1785
- */
1786
- chain_id?: string | Array<string>;
1779
+ template_structure: Template.TemplateStructure;
1787
1780
 
1788
1781
  /**
1789
1782
  * Force the template alignment within threshold.
1790
1783
  */
1791
1784
  force?: boolean;
1792
1785
 
1793
- /**
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.
1797
- */
1798
- template_id?: string | Array<string>;
1799
-
1800
1786
  /**
1801
1787
  * Distance threshold in angstroms used when force is true.
1802
1788
  */
@@ -1804,7 +1790,23 @@ export namespace StructureAndBindingStartResponse {
1804
1790
  }
1805
1791
 
1806
1792
  export namespace Template {
1807
- export interface Source {
1793
+ /**
1794
+ * Mapping from one request chain to the corresponding chain in the template
1795
+ * structure file.
1796
+ */
1797
+ export interface TemplateChain {
1798
+ /**
1799
+ * Chain ID in this prediction request
1800
+ */
1801
+ input_chain_id: string;
1802
+
1803
+ /**
1804
+ * Corresponding chain ID in the template structure file
1805
+ */
1806
+ template_chain_id: string;
1807
+ }
1808
+
1809
+ export interface TemplateStructure {
1808
1810
  /**
1809
1811
  * URL to download the file
1810
1812
  */
@@ -2080,9 +2082,8 @@ export namespace StructureAndBindingEstimateCostParams {
2080
2082
 
2081
2083
  /**
2082
2084
  * 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.
2085
+ * or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
2086
+ * request chains to template-file chains.
2086
2087
  */
2087
2088
  templates?: Array<Input.Template>;
2088
2089
  }
@@ -2589,35 +2590,22 @@ export namespace StructureAndBindingEstimateCostParams {
2589
2590
  */
2590
2591
  export interface Template {
2591
2592
  /**
2592
- * Template structure format. Base64 uploads must use media_type chemical/x-cif for
2593
- * CIF or chemical/x-pdb for PDB.
2593
+ * Request-to-template chain mappings. Each input_chain_id and template_chain_id
2594
+ * must be unique within this template.
2594
2595
  */
2595
- format: 'cif' | 'pdb';
2596
+ template_chains: Array<Template.TemplateChain>;
2596
2597
 
2597
2598
  /**
2598
- * How to provide a file to the API
2599
+ * How to provide a template structure file. URLs must point to a CIF or PDB file;
2600
+ * base64 uploads must use chemical/x-cif or chemical/x-pdb.
2599
2601
  */
2600
- source: Template.URLSource | Template.Base64Source;
2601
-
2602
- /**
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.
2606
- */
2607
- chain_id?: string | Array<string>;
2602
+ template_structure: Template.URLSource | Template.TemplateStructureBase64Source;
2608
2603
 
2609
2604
  /**
2610
2605
  * Force the template alignment within threshold.
2611
2606
  */
2612
2607
  force?: boolean;
2613
2608
 
2614
- /**
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.
2618
- */
2619
- template_id?: string | Array<string>;
2620
-
2621
2609
  /**
2622
2610
  * Distance threshold in angstroms used when force is true.
2623
2611
  */
@@ -2625,22 +2613,41 @@ export namespace StructureAndBindingEstimateCostParams {
2625
2613
  }
2626
2614
 
2627
2615
  export namespace Template {
2616
+ /**
2617
+ * Mapping from one request chain to the corresponding chain in the template
2618
+ * structure file.
2619
+ */
2620
+ export interface TemplateChain {
2621
+ /**
2622
+ * Chain ID in this prediction request
2623
+ */
2624
+ input_chain_id: string;
2625
+
2626
+ /**
2627
+ * Corresponding chain ID in the template structure file
2628
+ */
2629
+ template_chain_id: string;
2630
+ }
2631
+
2628
2632
  export interface URLSource {
2629
2633
  type: 'url';
2630
2634
 
2631
2635
  url: string;
2632
2636
  }
2633
2637
 
2634
- export interface Base64Source {
2638
+ export interface TemplateStructureBase64Source {
2635
2639
  /**
2636
- * Base64-encoded file contents
2640
+ * Base64-encoded template structure file contents
2637
2641
  */
2638
2642
  data: string;
2639
2643
 
2640
2644
  /**
2641
- * MIME type (e.g., text/csv)
2645
+ * Template structure MIME type
2646
+ *
2647
+ * - `chemical/x-cif` - CIF template structure
2648
+ * - `chemical/x-pdb` - PDB template structure
2642
2649
  */
2643
- media_type: string;
2650
+ media_type: 'chemical/x-cif' | 'chemical/x-pdb';
2644
2651
 
2645
2652
  type: 'base64';
2646
2653
  }
@@ -2704,9 +2711,8 @@ export namespace StructureAndBindingStartParams {
2704
2711
 
2705
2712
  /**
2706
2713
  * 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.
2714
+ * or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
2715
+ * request chains to template-file chains.
2710
2716
  */
2711
2717
  templates?: Array<Input.Template>;
2712
2718
  }
@@ -3213,35 +3219,22 @@ export namespace StructureAndBindingStartParams {
3213
3219
  */
3214
3220
  export interface Template {
3215
3221
  /**
3216
- * Template structure format. Base64 uploads must use media_type chemical/x-cif for
3217
- * CIF or chemical/x-pdb for PDB.
3222
+ * Request-to-template chain mappings. Each input_chain_id and template_chain_id
3223
+ * must be unique within this template.
3218
3224
  */
3219
- format: 'cif' | 'pdb';
3225
+ template_chains: Array<Template.TemplateChain>;
3220
3226
 
3221
3227
  /**
3222
- * How to provide a file to the API
3228
+ * How to provide a template structure file. URLs must point to a CIF or PDB file;
3229
+ * base64 uploads must use chemical/x-cif or chemical/x-pdb.
3223
3230
  */
3224
- source: Template.URLSource | Template.Base64Source;
3225
-
3226
- /**
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.
3230
- */
3231
- chain_id?: string | Array<string>;
3231
+ template_structure: Template.URLSource | Template.TemplateStructureBase64Source;
3232
3232
 
3233
3233
  /**
3234
3234
  * Force the template alignment within threshold.
3235
3235
  */
3236
3236
  force?: boolean;
3237
3237
 
3238
- /**
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.
3242
- */
3243
- template_id?: string | Array<string>;
3244
-
3245
3238
  /**
3246
3239
  * Distance threshold in angstroms used when force is true.
3247
3240
  */
@@ -3249,22 +3242,41 @@ export namespace StructureAndBindingStartParams {
3249
3242
  }
3250
3243
 
3251
3244
  export namespace Template {
3245
+ /**
3246
+ * Mapping from one request chain to the corresponding chain in the template
3247
+ * structure file.
3248
+ */
3249
+ export interface TemplateChain {
3250
+ /**
3251
+ * Chain ID in this prediction request
3252
+ */
3253
+ input_chain_id: string;
3254
+
3255
+ /**
3256
+ * Corresponding chain ID in the template structure file
3257
+ */
3258
+ template_chain_id: string;
3259
+ }
3260
+
3252
3261
  export interface URLSource {
3253
3262
  type: 'url';
3254
3263
 
3255
3264
  url: string;
3256
3265
  }
3257
3266
 
3258
- export interface Base64Source {
3267
+ export interface TemplateStructureBase64Source {
3259
3268
  /**
3260
- * Base64-encoded file contents
3269
+ * Base64-encoded template structure file contents
3261
3270
  */
3262
3271
  data: string;
3263
3272
 
3264
3273
  /**
3265
- * MIME type (e.g., text/csv)
3274
+ * Template structure MIME type
3275
+ *
3276
+ * - `chemical/x-cif` - CIF template structure
3277
+ * - `chemical/x-pdb` - PDB template structure
3266
3278
  */
3267
- media_type: string;
3279
+ media_type: 'chemical/x-cif' | 'chemical/x-pdb';
3268
3280
 
3269
3281
  type: 'base64';
3270
3282
  }
package/src/resources/protein/design.ts CHANGED
@@ -1469,18 +1469,6 @@ export namespace DesignRetrieveResponse {
1469
1469
  * ID of the most recently generated result
1470
1470
  */
1471
1471
  latest_result_id?: string;
1472
-
1473
- /**
1474
- * Cumulative number of designs produced by the model before filtering and
1475
- * deduplication. Useful for monitoring generation efficiency.
1476
- */
1477
- total_proteins_generated_pre_filter?: number;
1478
-
1479
- /**
1480
- * Cumulative number of designs that survived filtering and deduplication and
1481
- * became scoreable samples.
1482
- */
1483
- total_proteins_inserted?: number;
1484
1472
  }
1485
1473
  }
1486
1474
 
@@ -1572,18 +1560,6 @@ export namespace DesignListResponse {
1572
1560
  * ID of the most recently generated result
1573
1561
  */
1574
1562
  latest_result_id?: string;
1575
-
1576
- /**
1577
- * Cumulative number of designs produced by the model before filtering and
1578
- * deduplication. Useful for monitoring generation efficiency.
1579
- */
1580
- total_proteins_generated_pre_filter?: number;
1581
-
1582
- /**
1583
- * Cumulative number of designs that survived filtering and deduplication and
1584
- * became scoreable samples.
1585
- */
1586
- total_proteins_inserted?: number;
1587
1563
  }
1588
1564
  }
1589
1565
 
@@ -3237,18 +3213,6 @@ export namespace DesignStartResponse {
3237
3213
  * ID of the most recently generated result
3238
3214
  */
3239
3215
  latest_result_id?: string;
3240
-
3241
- /**
3242
- * Cumulative number of designs produced by the model before filtering and
3243
- * deduplication. Useful for monitoring generation efficiency.
3244
- */
3245
- total_proteins_generated_pre_filter?: number;
3246
-
3247
- /**
3248
- * Cumulative number of designs that survived filtering and deduplication and
3249
- * became scoreable samples.
3250
- */
3251
- total_proteins_inserted?: number;
3252
3216
  }
3253
3217
  }
3254
3218
 
@@ -4538,18 +4502,6 @@ export namespace DesignStopResponse {
4538
4502
  * ID of the most recently generated result
4539
4503
  */
4540
4504
  latest_result_id?: string;
4541
-
4542
- /**
4543
- * Cumulative number of designs produced by the model before filtering and
4544
- * deduplication. Useful for monitoring generation efficiency.
4545
- */
4546
- total_proteins_generated_pre_filter?: number;
4547
-
4548
- /**
4549
- * Cumulative number of designs that survived filtering and deduplication and
4550
- * became scoreable samples.
4551
- */
4552
- total_proteins_inserted?: number;
4553
4505
  }
4554
4506
  }
4555
4507