boltz-api 0.42.0 → 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.
@@ -1 +1 @@
1
- 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@@ -772,14 +772,10 @@ export namespace StructureAndBindingRetrieveResponse {
772
772
  template_structure: Template.TemplateStructure;
773
773
 
774
774
  /**
775
- * Force the template alignment within threshold.
775
+ * Force the template reference potential with this distance threshold in
776
+ * angstroms. Omit to use the template without force.
776
777
  */
777
- force?: boolean;
778
-
779
- /**
780
- * Distance threshold in angstroms used when force is true.
781
- */
782
- threshold?: number;
778
+ force_threshold_angstroms?: number;
783
779
  }
784
780
 
785
781
  export namespace Template {
@@ -1779,14 +1775,10 @@ export namespace StructureAndBindingStartResponse {
1779
1775
  template_structure: Template.TemplateStructure;
1780
1776
 
1781
1777
  /**
1782
- * Force the template alignment within threshold.
1783
- */
1784
- force?: boolean;
1785
-
1786
- /**
1787
- * Distance threshold in angstroms used when force is true.
1778
+ * Force the template reference potential with this distance threshold in
1779
+ * angstroms. Omit to use the template without force.
1788
1780
  */
1789
- threshold?: number;
1781
+ force_threshold_angstroms?: number;
1790
1782
  }
1791
1783
 
1792
1784
  export namespace Template {
@@ -2602,14 +2594,10 @@ export namespace StructureAndBindingEstimateCostParams {
2602
2594
  template_structure: Template.URLSource | Template.TemplateStructureBase64Source;
2603
2595
 
2604
2596
  /**
2605
- * Force the template alignment within threshold.
2597
+ * Force the template reference potential with this distance threshold in
2598
+ * angstroms. Omit to use the template without force.
2606
2599
  */
2607
- force?: boolean;
2608
-
2609
- /**
2610
- * Distance threshold in angstroms used when force is true.
2611
- */
2612
- threshold?: number;
2600
+ force_threshold_angstroms?: number;
2613
2601
  }
2614
2602
 
2615
2603
  export namespace Template {
@@ -3231,14 +3219,10 @@ export namespace StructureAndBindingStartParams {
3231
3219
  template_structure: Template.URLSource | Template.TemplateStructureBase64Source;
3232
3220
 
3233
3221
  /**
3234
- * Force the template alignment within threshold.
3235
- */
3236
- force?: boolean;
3237
-
3238
- /**
3239
- * Distance threshold in angstroms used when force is true.
3222
+ * Force the template reference potential with this distance threshold in
3223
+ * angstroms. Omit to use the template without force.
3240
3224
  */
3241
- threshold?: number;
3225
+ force_threshold_angstroms?: number;
3242
3226
  }
3243
3227
 
3244
3228
  export namespace Template {
@@ -310,13 +310,6 @@ export namespace DesignRetrieveResponse {
310
310
  */
311
311
  pocket_residues?: { [key: string]: Array<number> };
312
312
 
313
- /**
314
- * Precomputed affinity-pocket artifacts for this target. When provided,
315
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
316
- * affinity pocket search.
317
- */
318
- precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
319
-
320
313
  /**
321
314
  * Reference ligands as SMILES strings that help the model identify the binding
322
315
  * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -608,19 +601,6 @@ export namespace DesignRetrieveResponse {
608
601
  type: 'ligand_contact';
609
602
  }
610
603
  }
611
-
612
- /**
613
- * Precomputed affinity-pocket artifacts for this target. When provided,
614
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
615
- * affinity pocket search.
616
- */
617
- export interface PrecomputedAffinityPocket {
618
- method: 'reference_ligands' | 'residue_ids';
619
-
620
- pocket_file_url: string;
621
-
622
- structure_file_url: string;
623
- }
624
604
  }
625
605
 
626
606
  /**
@@ -1420,13 +1400,6 @@ export namespace DesignStartResponse {
1420
1400
  */
1421
1401
  pocket_residues?: { [key: string]: Array<number> };
1422
1402
 
1423
- /**
1424
- * Precomputed affinity-pocket artifacts for this target. When provided,
1425
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
1426
- * affinity pocket search.
1427
- */
1428
- precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
1429
-
1430
1403
  /**
1431
1404
  * Reference ligands as SMILES strings that help the model identify the binding
1432
1405
  * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -1718,19 +1691,6 @@ export namespace DesignStartResponse {
1718
1691
  type: 'ligand_contact';
1719
1692
  }
1720
1693
  }
1721
-
1722
- /**
1723
- * Precomputed affinity-pocket artifacts for this target. When provided,
1724
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
1725
- * affinity pocket search.
1726
- */
1727
- export interface PrecomputedAffinityPocket {
1728
- method: 'reference_ligands' | 'residue_ids';
1729
-
1730
- pocket_file_url: string;
1731
-
1732
- structure_file_url: string;
1733
- }
1734
1694
  }
1735
1695
 
1736
1696
  /**
@@ -2230,13 +2190,6 @@ export namespace DesignStopResponse {
2230
2190
  */
2231
2191
  pocket_residues?: { [key: string]: Array<number> };
2232
2192
 
2233
- /**
2234
- * Precomputed affinity-pocket artifacts for this target. When provided,
2235
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
2236
- * affinity pocket search.
2237
- */
2238
- precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
2239
-
2240
2193
  /**
2241
2194
  * Reference ligands as SMILES strings that help the model identify the binding
2242
2195
  * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -2528,19 +2481,6 @@ export namespace DesignStopResponse {
2528
2481
  type: 'ligand_contact';
2529
2482
  }
2530
2483
  }
2531
-
2532
- /**
2533
- * Precomputed affinity-pocket artifacts for this target. When provided,
2534
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
2535
- * affinity pocket search.
2536
- */
2537
- export interface PrecomputedAffinityPocket {
2538
- method: 'reference_ligands' | 'residue_ids';
2539
-
2540
- pocket_file_url: string;
2541
-
2542
- structure_file_url: string;
2543
- }
2544
2484
  }
2545
2485
 
2546
2486
  /**
@@ -2976,13 +2916,6 @@ export namespace DesignEstimateCostParams {
2976
2916
  */
2977
2917
  pocket_residues?: { [key: string]: Array<number> };
2978
2918
 
2979
- /**
2980
- * Precomputed affinity-pocket artifacts for this target. When provided,
2981
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
2982
- * affinity pocket search.
2983
- */
2984
- precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
2985
-
2986
2919
  /**
2987
2920
  * Reference ligands as SMILES strings that help the model identify the binding
2988
2921
  * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -3270,19 +3203,6 @@ export namespace DesignEstimateCostParams {
3270
3203
  type: 'ligand_contact';
3271
3204
  }
3272
3205
  }
3273
-
3274
- /**
3275
- * Precomputed affinity-pocket artifacts for this target. When provided,
3276
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
3277
- * affinity pocket search.
3278
- */
3279
- export interface PrecomputedAffinityPocket {
3280
- method: 'reference_ligands' | 'residue_ids';
3281
-
3282
- pocket_file_url: string;
3283
-
3284
- structure_file_url: string;
3285
- }
3286
3206
  }
3287
3207
 
3288
3208
  /**
@@ -3691,13 +3611,6 @@ export namespace DesignStartParams {
3691
3611
  */
3692
3612
  pocket_residues?: { [key: string]: Array<number> };
3693
3613
 
3694
- /**
3695
- * Precomputed affinity-pocket artifacts for this target. When provided,
3696
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
3697
- * affinity pocket search.
3698
- */
3699
- precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
3700
-
3701
3614
  /**
3702
3615
  * Reference ligands as SMILES strings that help the model identify the binding
3703
3616
  * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -3985,19 +3898,6 @@ export namespace DesignStartParams {
3985
3898
  type: 'ligand_contact';
3986
3899
  }
3987
3900
  }
3988
-
3989
- /**
3990
- * Precomputed affinity-pocket artifacts for this target. When provided,
3991
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
3992
- * affinity pocket search.
3993
- */
3994
- export interface PrecomputedAffinityPocket {
3995
- method: 'reference_ligands' | 'residue_ids';
3996
-
3997
- pocket_file_url: string;
3998
-
3999
- structure_file_url: string;
4000
- }
4001
3901
  }
4002
3902
 
4003
3903
  /**
@@ -300,13 +300,6 @@ export namespace LibraryScreenRetrieveResponse {
300
300
  */
301
301
  pocket_residues?: { [key: string]: Array<number> };
302
302
 
303
- /**
304
- * Precomputed affinity-pocket artifacts for this target. When provided,
305
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
306
- * affinity pocket search.
307
- */
308
- precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
309
-
310
303
  /**
311
304
  * Reference ligands as SMILES strings that help the model identify the binding
312
305
  * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -598,19 +591,6 @@ export namespace LibraryScreenRetrieveResponse {
598
591
  type: 'ligand_contact';
599
592
  }
600
593
  }
601
-
602
- /**
603
- * Precomputed affinity-pocket artifacts for this target. When provided,
604
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
605
- * affinity pocket search.
606
- */
607
- export interface PrecomputedAffinityPocket {
608
- method: 'reference_ligands' | 'residue_ids';
609
-
610
- pocket_file_url: string;
611
-
612
- structure_file_url: string;
613
- }
614
594
  }
615
595
 
616
596
  /**
@@ -1451,13 +1431,6 @@ export namespace LibraryScreenStartResponse {
1451
1431
  */
1452
1432
  pocket_residues?: { [key: string]: Array<number> };
1453
1433
 
1454
- /**
1455
- * Precomputed affinity-pocket artifacts for this target. When provided,
1456
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
1457
- * affinity pocket search.
1458
- */
1459
- precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
1460
-
1461
1434
  /**
1462
1435
  * Reference ligands as SMILES strings that help the model identify the binding
1463
1436
  * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -1749,19 +1722,6 @@ export namespace LibraryScreenStartResponse {
1749
1722
  type: 'ligand_contact';
1750
1723
  }
1751
1724
  }
1752
-
1753
- /**
1754
- * Precomputed affinity-pocket artifacts for this target. When provided,
1755
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
1756
- * affinity pocket search.
1757
- */
1758
- export interface PrecomputedAffinityPocket {
1759
- method: 'reference_ligands' | 'residue_ids';
1760
-
1761
- pocket_file_url: string;
1762
-
1763
- structure_file_url: string;
1764
- }
1765
1725
  }
1766
1726
 
1767
1727
  /**
@@ -2275,13 +2235,6 @@ export namespace LibraryScreenStopResponse {
2275
2235
  */
2276
2236
  pocket_residues?: { [key: string]: Array<number> };
2277
2237
 
2278
- /**
2279
- * Precomputed affinity-pocket artifacts for this target. When provided,
2280
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
2281
- * affinity pocket search.
2282
- */
2283
- precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
2284
-
2285
2238
  /**
2286
2239
  * Reference ligands as SMILES strings that help the model identify the binding
2287
2240
  * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -2573,19 +2526,6 @@ export namespace LibraryScreenStopResponse {
2573
2526
  type: 'ligand_contact';
2574
2527
  }
2575
2528
  }
2576
-
2577
- /**
2578
- * Precomputed affinity-pocket artifacts for this target. When provided,
2579
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
2580
- * affinity pocket search.
2581
- */
2582
- export interface PrecomputedAffinityPocket {
2583
- method: 'reference_ligands' | 'residue_ids';
2584
-
2585
- pocket_file_url: string;
2586
-
2587
- structure_file_url: string;
2588
- }
2589
2529
  }
2590
2530
 
2591
2531
  /**
@@ -3051,13 +2991,6 @@ export namespace LibraryScreenEstimateCostParams {
3051
2991
  */
3052
2992
  pocket_residues?: { [key: string]: Array<number> };
3053
2993
 
3054
- /**
3055
- * Precomputed affinity-pocket artifacts for this target. When provided,
3056
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
3057
- * affinity pocket search.
3058
- */
3059
- precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
3060
-
3061
2994
  /**
3062
2995
  * Reference ligands as SMILES strings that help the model identify the binding
3063
2996
  * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -3345,19 +3278,6 @@ export namespace LibraryScreenEstimateCostParams {
3345
3278
  type: 'ligand_contact';
3346
3279
  }
3347
3280
  }
3348
-
3349
- /**
3350
- * Precomputed affinity-pocket artifacts for this target. When provided,
3351
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
3352
- * affinity pocket search.
3353
- */
3354
- export interface PrecomputedAffinityPocket {
3355
- method: 'reference_ligands' | 'residue_ids';
3356
-
3357
- pocket_file_url: string;
3358
-
3359
- structure_file_url: string;
3360
- }
3361
3281
  }
3362
3282
 
3363
3283
  /**
@@ -3774,13 +3694,6 @@ export namespace LibraryScreenStartParams {
3774
3694
  */
3775
3695
  pocket_residues?: { [key: string]: Array<number> };
3776
3696
 
3777
- /**
3778
- * Precomputed affinity-pocket artifacts for this target. When provided,
3779
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
3780
- * affinity pocket search.
3781
- */
3782
- precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
3783
-
3784
3697
  /**
3785
3698
  * Reference ligands as SMILES strings that help the model identify the binding
3786
3699
  * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -4068,19 +3981,6 @@ export namespace LibraryScreenStartParams {
4068
3981
  type: 'ligand_contact';
4069
3982
  }
4070
3983
  }
4071
-
4072
- /**
4073
- * Precomputed affinity-pocket artifacts for this target. When provided,
4074
- * small-molecule design/screen pipelines reuse this pocket and skip Compute
4075
- * affinity pocket search.
4076
- */
4077
- export interface PrecomputedAffinityPocket {
4078
- method: 'reference_ligands' | 'residue_ids';
4079
-
4080
- pocket_file_url: string;
4081
-
4082
- structure_file_url: string;
4083
- }
4084
3984
  }
4085
3985
 
4086
3986
  /**
package/src/version.ts CHANGED
@@ -1 +1 @@
1
- export const VERSION = '0.42.0'; // x-release-please-version
1
+ export const VERSION = '0.43.0'; // x-release-please-version
package/version.d.mts CHANGED
@@ -1,2 +1,2 @@
1
- export declare const VERSION = "0.42.0";
1
+ export declare const VERSION = "0.43.0";
2
2
  //# sourceMappingURL=version.d.mts.map
package/version.d.ts CHANGED
@@ -1,2 +1,2 @@
1
- export declare const VERSION = "0.42.0";
1
+ export declare const VERSION = "0.43.0";
2
2
  //# sourceMappingURL=version.d.ts.map
package/version.js CHANGED
@@ -1,5 +1,5 @@
1
1
  "use strict";
2
2
  Object.defineProperty(exports, "__esModule", { value: true });
3
3
  exports.VERSION = void 0;
4
- exports.VERSION = '0.42.0'; // x-release-please-version
4
+ exports.VERSION = '0.43.0'; // x-release-please-version
5
5
  //# sourceMappingURL=version.js.map
package/version.mjs CHANGED
@@ -1,2 +1,2 @@
1
- export const VERSION = '0.42.0'; // x-release-please-version
1
+ export const VERSION = '0.43.0'; // x-release-please-version
2
2
  //# sourceMappingURL=version.mjs.map