boltz-api 0.35.3 → 0.36.0

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Files changed (22) hide show
  1. package/CHANGELOG.md +8 -0
  2. package/package.json +1 -1
  3. package/resources/predictions/structure-and-binding.d.mts +20 -0
  4. package/resources/predictions/structure-and-binding.d.mts.map +1 -1
  5. package/resources/predictions/structure-and-binding.d.ts +20 -0
  6. package/resources/predictions/structure-and-binding.d.ts.map +1 -1
  7. package/resources/small-molecule/design.d.mts +60 -10
  8. package/resources/small-molecule/design.d.mts.map +1 -1
  9. package/resources/small-molecule/design.d.ts +60 -10
  10. package/resources/small-molecule/design.d.ts.map +1 -1
  11. package/resources/small-molecule/library-screen.d.mts +60 -10
  12. package/resources/small-molecule/library-screen.d.mts.map +1 -1
  13. package/resources/small-molecule/library-screen.d.ts +60 -10
  14. package/resources/small-molecule/library-screen.d.ts.map +1 -1
  15. package/src/resources/predictions/structure-and-binding.ts +24 -0
  16. package/src/resources/small-molecule/design.ts +70 -10
  17. package/src/resources/small-molecule/library-screen.ts +70 -10
  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/CHANGELOG.md CHANGED
@@ -1,5 +1,13 @@
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  # Changelog
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+ ## 0.36.0 (2026-05-25)
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+
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+ Full Changelog: [v0.35.3...v0.36.0](https://github.com/boltz-bio/boltz-api-typescript/compare/v0.35.3...v0.36.0)
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+
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+ ### Features
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+
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+ * **compute-api:** add small molecule structure templates ([87ea262](https://github.com/boltz-bio/boltz-api-typescript/commit/87ea262cced5ad0043fdb45dcebe2228f05c5fcc))
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  ## 0.35.3 (2026-05-22)
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  Full Changelog: [v0.35.2...v0.35.3](https://github.com/boltz-bio/boltz-api-typescript/compare/v0.35.2...v0.35.3)
package/package.json CHANGED
@@ -1,6 +1,6 @@
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  {
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  "name": "boltz-api",
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- "version": "0.35.3",
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+ "version": "0.36.0",
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  "description": "The official TypeScript library for the Boltz API",
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  "author": "Boltz <contact@boltz.bio>",
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  "types": "./index.d.ts",
package/resources/predictions/structure-and-binding.d.mts CHANGED
@@ -514,6 +514,11 @@ export declare namespace StructureAndBindingRetrieveResponse {
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  }
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  }
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  interface ModelOptions {
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+ /**
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+ * Use the provided pocket constraint as input conditioning during affinity
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+ * prediction.
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+ */
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+ enable_pocket_conditioning?: boolean;
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  /**
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  * The number of recycling steps to use for prediction. Default is 3.
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  */
@@ -1211,6 +1216,11 @@ export declare namespace StructureAndBindingStartResponse {
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  }
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  }
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  interface ModelOptions {
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+ /**
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+ * Use the provided pocket constraint as input conditioning during affinity
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+ * prediction.
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+ */
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+ enable_pocket_conditioning?: boolean;
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  /**
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  * The number of recycling steps to use for prediction. Default is 3.
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  */
@@ -1759,6 +1769,11 @@ export declare namespace StructureAndBindingEstimateCostParams {
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  }
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  }
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  interface ModelOptions {
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+ /**
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+ * Use the provided pocket constraint as input conditioning during affinity
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+ * prediction.
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+ */
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+ enable_pocket_conditioning?: boolean;
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  /**
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  * The number of recycling steps to use for prediction. Default is 3.
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  */
@@ -2141,6 +2156,11 @@ export declare namespace StructureAndBindingStartParams {
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  }
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  }
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  interface ModelOptions {
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+ /**
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+ * Use the provided pocket constraint as input conditioning during affinity
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+ * prediction.
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+ */
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+ enable_pocket_conditioning?: boolean;
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  /**
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  * The number of recycling steps to use for prediction. Default is 3.
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  */
package/resources/predictions/structure-and-binding.d.mts.map CHANGED
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package/resources/predictions/structure-and-binding.d.ts CHANGED
@@ -514,6 +514,11 @@ export declare namespace StructureAndBindingRetrieveResponse {
514
514
  }
515
515
  }
516
516
  interface ModelOptions {
517
+ /**
518
+ * Use the provided pocket constraint as input conditioning during affinity
519
+ * prediction.
520
+ */
521
+ enable_pocket_conditioning?: boolean;
517
522
  /**
518
523
  * The number of recycling steps to use for prediction. Default is 3.
519
524
  */
@@ -1211,6 +1216,11 @@ export declare namespace StructureAndBindingStartResponse {
1211
1216
  }
1212
1217
  }
1213
1218
  interface ModelOptions {
1219
+ /**
1220
+ * Use the provided pocket constraint as input conditioning during affinity
1221
+ * prediction.
1222
+ */
1223
+ enable_pocket_conditioning?: boolean;
1214
1224
  /**
1215
1225
  * The number of recycling steps to use for prediction. Default is 3.
1216
1226
  */
@@ -1759,6 +1769,11 @@ export declare namespace StructureAndBindingEstimateCostParams {
1759
1769
  }
1760
1770
  }
1761
1771
  interface ModelOptions {
1772
+ /**
1773
+ * Use the provided pocket constraint as input conditioning during affinity
1774
+ * prediction.
1775
+ */
1776
+ enable_pocket_conditioning?: boolean;
1762
1777
  /**
1763
1778
  * The number of recycling steps to use for prediction. Default is 3.
1764
1779
  */
@@ -2141,6 +2156,11 @@ export declare namespace StructureAndBindingStartParams {
2141
2156
  }
2142
2157
  }
2143
2158
  interface ModelOptions {
2159
+ /**
2160
+ * Use the provided pocket constraint as input conditioning during affinity
2161
+ * prediction.
2162
+ */
2163
+ enable_pocket_conditioning?: boolean;
2144
2164
  /**
2145
2165
  * The number of recycling steps to use for prediction. Default is 3.
2146
2166
  */
package/resources/predictions/structure-and-binding.d.ts.map CHANGED
@@ -1 +1 @@
1
- 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package/resources/small-molecule/design.d.mts CHANGED
@@ -182,7 +182,7 @@ export declare namespace DesignRetrieveResponse {
182
182
  */
183
183
  num_molecules: number;
184
184
  /**
185
- * Target protein with binding pocket for small molecule design or screening
185
+ * Target protein sequences for small molecule design or screening.
186
186
  */
187
187
  target: Input.Target;
188
188
  /**
@@ -207,7 +207,7 @@ export declare namespace DesignRetrieveResponse {
207
207
  }
208
208
  namespace Input {
209
209
  /**
210
- * Target protein with binding pocket for small molecule design or screening
210
+ * Target protein sequences for small molecule design or screening.
211
211
  */
212
212
  interface Target {
213
213
  /**
@@ -225,6 +225,11 @@ export declare namespace DesignRetrieveResponse {
225
225
  * currently support ligand_ccd only; ligand_smiles is unsupported.
226
226
  */
227
227
  constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
228
+ /**
229
+ * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
230
+ * while scoring candidate molecules. Defaults to false.
231
+ */
232
+ enable_pocket_conditioning?: boolean;
228
233
  /**
229
234
  * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
230
235
  * and the value is an array of 0-indexed residue indices that define the binding
@@ -242,6 +247,11 @@ export declare namespace DesignRetrieveResponse {
242
247
  * detection.
243
248
  */
244
249
  reference_ligands?: Array<string>;
250
+ /**
251
+ * Target is defined directly by protein sequences rather than a structure
252
+ * template.
253
+ */
254
+ type?: 'no_template';
245
255
  }
246
256
  namespace Target {
247
257
  interface Entity {
@@ -1055,7 +1065,7 @@ export declare namespace DesignStartResponse {
1055
1065
  */
1056
1066
  num_molecules: number;
1057
1067
  /**
1058
- * Target protein with binding pocket for small molecule design or screening
1068
+ * Target protein sequences for small molecule design or screening.
1059
1069
  */
1060
1070
  target: Input.Target;
1061
1071
  /**
@@ -1080,7 +1090,7 @@ export declare namespace DesignStartResponse {
1080
1090
  }
1081
1091
  namespace Input {
1082
1092
  /**
1083
- * Target protein with binding pocket for small molecule design or screening
1093
+ * Target protein sequences for small molecule design or screening.
1084
1094
  */
1085
1095
  interface Target {
1086
1096
  /**
@@ -1098,6 +1108,11 @@ export declare namespace DesignStartResponse {
1098
1108
  * currently support ligand_ccd only; ligand_smiles is unsupported.
1099
1109
  */
1100
1110
  constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
1111
+ /**
1112
+ * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
1113
+ * while scoring candidate molecules. Defaults to false.
1114
+ */
1115
+ enable_pocket_conditioning?: boolean;
1101
1116
  /**
1102
1117
  * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
1103
1118
  * and the value is an array of 0-indexed residue indices that define the binding
@@ -1115,6 +1130,11 @@ export declare namespace DesignStartResponse {
1115
1130
  * detection.
1116
1131
  */
1117
1132
  reference_ligands?: Array<string>;
1133
+ /**
1134
+ * Target is defined directly by protein sequences rather than a structure
1135
+ * template.
1136
+ */
1137
+ type?: 'no_template';
1118
1138
  }
1119
1139
  namespace Target {
1120
1140
  interface Entity {
@@ -1689,7 +1709,7 @@ export declare namespace DesignStopResponse {
1689
1709
  */
1690
1710
  num_molecules: number;
1691
1711
  /**
1692
- * Target protein with binding pocket for small molecule design or screening
1712
+ * Target protein sequences for small molecule design or screening.
1693
1713
  */
1694
1714
  target: Input.Target;
1695
1715
  /**
@@ -1714,7 +1734,7 @@ export declare namespace DesignStopResponse {
1714
1734
  }
1715
1735
  namespace Input {
1716
1736
  /**
1717
- * Target protein with binding pocket for small molecule design or screening
1737
+ * Target protein sequences for small molecule design or screening.
1718
1738
  */
1719
1739
  interface Target {
1720
1740
  /**
@@ -1732,6 +1752,11 @@ export declare namespace DesignStopResponse {
1732
1752
  * currently support ligand_ccd only; ligand_smiles is unsupported.
1733
1753
  */
1734
1754
  constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
1755
+ /**
1756
+ * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
1757
+ * while scoring candidate molecules. Defaults to false.
1758
+ */
1759
+ enable_pocket_conditioning?: boolean;
1735
1760
  /**
1736
1761
  * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
1737
1762
  * and the value is an array of 0-indexed residue indices that define the binding
@@ -1749,6 +1774,11 @@ export declare namespace DesignStopResponse {
1749
1774
  * detection.
1750
1775
  */
1751
1776
  reference_ligands?: Array<string>;
1777
+ /**
1778
+ * Target is defined directly by protein sequences rather than a structure
1779
+ * template.
1780
+ */
1781
+ type?: 'no_template';
1752
1782
  }
1753
1783
  namespace Target {
1754
1784
  interface Entity {
@@ -2275,7 +2305,7 @@ export interface DesignEstimateCostParams {
2275
2305
  */
2276
2306
  num_molecules: number;
2277
2307
  /**
2278
- * Target protein with binding pocket for small molecule design or screening
2308
+ * Target protein sequences for small molecule design or screening.
2279
2309
  */
2280
2310
  target: DesignEstimateCostParams.Target;
2281
2311
  /**
@@ -2300,7 +2330,7 @@ export interface DesignEstimateCostParams {
2300
2330
  }
2301
2331
  export declare namespace DesignEstimateCostParams {
2302
2332
  /**
2303
- * Target protein with binding pocket for small molecule design or screening
2333
+ * Target protein sequences for small molecule design or screening.
2304
2334
  */
2305
2335
  interface Target {
2306
2336
  /**
@@ -2318,6 +2348,11 @@ export declare namespace DesignEstimateCostParams {
2318
2348
  * currently support ligand_ccd only; ligand_smiles is unsupported.
2319
2349
  */
2320
2350
  constraints?: Array<Target.PocketConstraint | Target.ContactConstraint>;
2351
+ /**
2352
+ * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
2353
+ * while scoring candidate molecules. Defaults to false.
2354
+ */
2355
+ enable_pocket_conditioning?: boolean;
2321
2356
  /**
2322
2357
  * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
2323
2358
  * and the value is an array of 0-indexed residue indices that define the binding
@@ -2335,6 +2370,11 @@ export declare namespace DesignEstimateCostParams {
2335
2370
  * detection.
2336
2371
  */
2337
2372
  reference_ligands?: Array<string>;
2373
+ /**
2374
+ * Target is defined directly by protein sequences rather than a structure
2375
+ * template.
2376
+ */
2377
+ type?: 'no_template';
2338
2378
  }
2339
2379
  namespace Target {
2340
2380
  interface Entity {
@@ -2838,7 +2878,7 @@ export interface DesignStartParams {
2838
2878
  */
2839
2879
  num_molecules: number;
2840
2880
  /**
2841
- * Target protein with binding pocket for small molecule design or screening
2881
+ * Target protein sequences for small molecule design or screening.
2842
2882
  */
2843
2883
  target: DesignStartParams.Target;
2844
2884
  /**
@@ -2863,7 +2903,7 @@ export interface DesignStartParams {
2863
2903
  }
2864
2904
  export declare namespace DesignStartParams {
2865
2905
  /**
2866
- * Target protein with binding pocket for small molecule design or screening
2906
+ * Target protein sequences for small molecule design or screening.
2867
2907
  */
2868
2908
  interface Target {
2869
2909
  /**
@@ -2881,6 +2921,11 @@ export declare namespace DesignStartParams {
2881
2921
  * currently support ligand_ccd only; ligand_smiles is unsupported.
2882
2922
  */
2883
2923
  constraints?: Array<Target.PocketConstraint | Target.ContactConstraint>;
2924
+ /**
2925
+ * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
2926
+ * while scoring candidate molecules. Defaults to false.
2927
+ */
2928
+ enable_pocket_conditioning?: boolean;
2884
2929
  /**
2885
2930
  * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
2886
2931
  * and the value is an array of 0-indexed residue indices that define the binding
@@ -2898,6 +2943,11 @@ export declare namespace DesignStartParams {
2898
2943
  * detection.
2899
2944
  */
2900
2945
  reference_ligands?: Array<string>;
2946
+ /**
2947
+ * Target is defined directly by protein sequences rather than a structure
2948
+ * template.
2949
+ */
2950
+ type?: 'no_template';
2901
2951
  }
2902
2952
  namespace Target {
2903
2953
  interface Entity {