boltz-api 0.30.4 → 0.35.3

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 (221) hide show
  1. package/CHANGELOG.md +75 -0
  2. package/api-promise.d.mts +1 -0
  3. package/api-promise.d.mts.map +1 -1
  4. package/api-promise.d.ts +1 -0
  5. package/api-promise.d.ts.map +1 -1
  6. package/api-promise.mjs +1 -0
  7. package/api-promise.mjs.map +1 -1
  8. package/client.d.mts.map +1 -1
  9. package/client.d.ts.map +1 -1
  10. package/client.mjs.map +1 -1
  11. package/core/api-promise.d.mts.map +1 -1
  12. package/core/api-promise.d.ts.map +1 -1
  13. package/core/api-promise.mjs.map +1 -1
  14. package/core/error.mjs.map +1 -1
  15. package/core/pagination.d.mts.map +1 -1
  16. package/core/pagination.d.ts.map +1 -1
  17. package/core/pagination.mjs.map +1 -1
  18. package/core/resource.d.mts.map +1 -1
  19. package/core/resource.d.ts.map +1 -1
  20. package/core/uploads.d.mts.map +1 -1
  21. package/core/uploads.d.ts.map +1 -1
  22. package/core/uploads.mjs.map +1 -1
  23. package/error.d.mts +1 -0
  24. package/error.d.mts.map +1 -1
  25. package/error.d.ts +1 -0
  26. package/error.d.ts.map +1 -1
  27. package/error.mjs +1 -0
  28. package/error.mjs.map +1 -1
  29. package/index.d.mts.map +1 -1
  30. package/index.d.ts.map +1 -1
  31. package/index.mjs.map +1 -1
  32. package/internal/detect-platform.mjs.map +1 -1
  33. package/internal/headers.mjs.map +1 -1
  34. package/internal/parse.d.mts.map +1 -1
  35. package/internal/parse.d.ts.map +1 -1
  36. package/internal/parse.mjs.map +1 -1
  37. package/internal/qs/formats.d.mts.map +1 -1
  38. package/internal/qs/formats.d.ts.map +1 -1
  39. package/internal/qs/index.d.mts +2 -2
  40. package/internal/qs/index.d.mts.map +1 -1
  41. package/internal/qs/index.d.ts +2 -2
  42. package/internal/qs/index.d.ts.map +1 -1
  43. package/internal/qs/index.mjs.map +1 -1
  44. package/internal/qs/stringify.d.mts.map +1 -1
  45. package/internal/qs/stringify.d.ts.map +1 -1
  46. package/internal/qs/stringify.mjs.map +1 -1
  47. package/internal/qs/utils.d.mts.map +1 -1
  48. package/internal/qs/utils.d.ts.map +1 -1
  49. package/internal/qs/utils.mjs.map +1 -1
  50. package/internal/request-options.d.mts.map +1 -1
  51. package/internal/request-options.d.ts.map +1 -1
  52. package/internal/shims.d.mts +6 -0
  53. package/internal/shims.d.mts.map +1 -1
  54. package/internal/shims.d.ts +6 -0
  55. package/internal/shims.d.ts.map +1 -1
  56. package/internal/to-file.d.mts.map +1 -1
  57. package/internal/to-file.d.ts.map +1 -1
  58. package/internal/to-file.mjs.map +1 -1
  59. package/internal/types.d.mts +4 -4
  60. package/internal/types.d.mts.map +1 -1
  61. package/internal/types.d.ts +4 -4
  62. package/internal/types.d.ts.map +1 -1
  63. package/internal/uploads.d.mts.map +1 -1
  64. package/internal/uploads.d.ts.map +1 -1
  65. package/internal/uploads.mjs.map +1 -1
  66. package/internal/utils/base64.mjs.map +1 -1
  67. package/internal/utils/log.d.mts.map +1 -1
  68. package/internal/utils/log.d.ts.map +1 -1
  69. package/internal/utils/log.mjs.map +1 -1
  70. package/internal/utils/path.mjs.map +1 -1
  71. package/internal/utils/query.mjs.map +1 -1
  72. package/internal/utils/values.mjs.map +1 -1
  73. package/internal/utils.d.mts.map +1 -1
  74. package/internal/utils.d.ts.map +1 -1
  75. package/internal/utils.mjs.map +1 -1
  76. package/package.json +1 -1
  77. package/pagination.d.mts +1 -0
  78. package/pagination.d.mts.map +1 -1
  79. package/pagination.d.ts +1 -0
  80. package/pagination.d.ts.map +1 -1
  81. package/pagination.mjs +1 -0
  82. package/pagination.mjs.map +1 -1
  83. package/resource.d.mts +1 -0
  84. package/resource.d.mts.map +1 -1
  85. package/resource.d.ts +1 -0
  86. package/resource.d.ts.map +1 -1
  87. package/resource.mjs +1 -0
  88. package/resource.mjs.map +1 -1
  89. package/resources/admin/admin.d.mts +2 -2
  90. package/resources/admin/admin.d.mts.map +1 -1
  91. package/resources/admin/admin.d.ts +2 -2
  92. package/resources/admin/admin.d.ts.map +1 -1
  93. package/resources/admin/admin.js.map +1 -1
  94. package/resources/admin/admin.mjs.map +1 -1
  95. package/resources/admin/api-keys.d.mts.map +1 -1
  96. package/resources/admin/api-keys.d.ts.map +1 -1
  97. package/resources/admin/api-keys.mjs.map +1 -1
  98. package/resources/admin/index.d.mts +1 -1
  99. package/resources/admin/index.d.mts.map +1 -1
  100. package/resources/admin/index.d.ts +1 -1
  101. package/resources/admin/index.d.ts.map +1 -1
  102. package/resources/admin/index.js.map +1 -1
  103. package/resources/admin/index.mjs.map +1 -1
  104. package/resources/admin/usage.d.mts.map +1 -1
  105. package/resources/admin/usage.d.ts.map +1 -1
  106. package/resources/admin/usage.mjs.map +1 -1
  107. package/resources/admin/workspaces.d.mts +94 -1
  108. package/resources/admin/workspaces.d.mts.map +1 -1
  109. package/resources/admin/workspaces.d.ts +94 -1
  110. package/resources/admin/workspaces.d.ts.map +1 -1
  111. package/resources/admin/workspaces.js +15 -0
  112. package/resources/admin/workspaces.js.map +1 -1
  113. package/resources/admin/workspaces.mjs +15 -0
  114. package/resources/admin/workspaces.mjs.map +1 -1
  115. package/resources/admin.d.mts.map +1 -1
  116. package/resources/admin.d.ts.map +1 -1
  117. package/resources/admin.mjs.map +1 -1
  118. package/resources/auth.d.mts.map +1 -1
  119. package/resources/auth.d.ts.map +1 -1
  120. package/resources/auth.mjs.map +1 -1
  121. package/resources/cli.d.mts.map +1 -1
  122. package/resources/cli.d.ts.map +1 -1
  123. package/resources/cli.mjs.map +1 -1
  124. package/resources/index.d.mts.map +1 -1
  125. package/resources/index.d.ts.map +1 -1
  126. package/resources/index.mjs.map +1 -1
  127. package/resources/predictions/adme.d.mts +539 -0
  128. package/resources/predictions/adme.d.mts.map +1 -0
  129. package/resources/predictions/adme.d.ts +539 -0
  130. package/resources/predictions/adme.d.ts.map +1 -0
  131. package/resources/predictions/adme.js +72 -0
  132. package/resources/predictions/adme.js.map +1 -0
  133. package/resources/predictions/adme.mjs +68 -0
  134. package/resources/predictions/adme.mjs.map +1 -0
  135. package/resources/predictions/index.d.mts +1 -0
  136. package/resources/predictions/index.d.mts.map +1 -1
  137. package/resources/predictions/index.d.ts +1 -0
  138. package/resources/predictions/index.d.ts.map +1 -1
  139. package/resources/predictions/index.js +3 -1
  140. package/resources/predictions/index.js.map +1 -1
  141. package/resources/predictions/index.mjs +1 -0
  142. package/resources/predictions/index.mjs.map +1 -1
  143. package/resources/predictions/predictions.d.mts +4 -0
  144. package/resources/predictions/predictions.d.mts.map +1 -1
  145. package/resources/predictions/predictions.d.ts +4 -0
  146. package/resources/predictions/predictions.d.ts.map +1 -1
  147. package/resources/predictions/predictions.js +4 -0
  148. package/resources/predictions/predictions.js.map +1 -1
  149. package/resources/predictions/predictions.mjs +4 -0
  150. package/resources/predictions/predictions.mjs.map +1 -1
  151. package/resources/predictions/structure-and-binding.d.mts +24 -156
  152. package/resources/predictions/structure-and-binding.d.mts.map +1 -1
  153. package/resources/predictions/structure-and-binding.d.ts +24 -156
  154. package/resources/predictions/structure-and-binding.d.ts.map +1 -1
  155. package/resources/predictions/structure-and-binding.mjs.map +1 -1
  156. package/resources/predictions.d.mts.map +1 -1
  157. package/resources/predictions.d.ts.map +1 -1
  158. package/resources/predictions.mjs.map +1 -1
  159. package/resources/protein/design.d.mts +161 -509
  160. package/resources/protein/design.d.mts.map +1 -1
  161. package/resources/protein/design.d.ts +161 -509
  162. package/resources/protein/design.d.ts.map +1 -1
  163. package/resources/protein/design.mjs.map +1 -1
  164. package/resources/protein/index.d.mts.map +1 -1
  165. package/resources/protein/index.d.ts.map +1 -1
  166. package/resources/protein/index.mjs.map +1 -1
  167. package/resources/protein/library-screen.d.mts +133 -327
  168. package/resources/protein/library-screen.d.mts.map +1 -1
  169. package/resources/protein/library-screen.d.ts +133 -327
  170. package/resources/protein/library-screen.d.ts.map +1 -1
  171. package/resources/protein/library-screen.mjs.map +1 -1
  172. package/resources/protein/protein.d.mts.map +1 -1
  173. package/resources/protein/protein.d.ts.map +1 -1
  174. package/resources/protein/protein.mjs.map +1 -1
  175. package/resources/protein.d.mts.map +1 -1
  176. package/resources/protein.d.ts.map +1 -1
  177. package/resources/protein.mjs.map +1 -1
  178. package/resources/small-molecule/design.d.mts +31 -65
  179. package/resources/small-molecule/design.d.mts.map +1 -1
  180. package/resources/small-molecule/design.d.ts +31 -65
  181. package/resources/small-molecule/design.d.ts.map +1 -1
  182. package/resources/small-molecule/design.mjs.map +1 -1
  183. package/resources/small-molecule/index.d.mts.map +1 -1
  184. package/resources/small-molecule/index.d.ts.map +1 -1
  185. package/resources/small-molecule/index.mjs.map +1 -1
  186. package/resources/small-molecule/library-screen.d.mts +31 -65
  187. package/resources/small-molecule/library-screen.d.mts.map +1 -1
  188. package/resources/small-molecule/library-screen.d.ts +31 -65
  189. package/resources/small-molecule/library-screen.d.ts.map +1 -1
  190. package/resources/small-molecule/library-screen.mjs.map +1 -1
  191. package/resources/small-molecule/small-molecule.d.mts.map +1 -1
  192. package/resources/small-molecule/small-molecule.d.ts.map +1 -1
  193. package/resources/small-molecule/small-molecule.mjs.map +1 -1
  194. package/resources/small-molecule.d.mts.map +1 -1
  195. package/resources/small-molecule.d.ts.map +1 -1
  196. package/resources/small-molecule.mjs.map +1 -1
  197. package/resources.d.mts.map +1 -1
  198. package/resources.d.ts.map +1 -1
  199. package/resources.mjs.map +1 -1
  200. package/src/resources/admin/admin.ts +6 -0
  201. package/src/resources/admin/index.ts +3 -0
  202. package/src/resources/admin/workspaces.ts +131 -1
  203. package/src/resources/predictions/adme.ts +682 -0
  204. package/src/resources/predictions/index.ts +11 -0
  205. package/src/resources/predictions/predictions.ts +26 -0
  206. package/src/resources/predictions/structure-and-binding.ts +24 -204
  207. package/src/resources/protein/design.ts +161 -671
  208. package/src/resources/protein/library-screen.ts +133 -417
  209. package/src/resources/small-molecule/design.ts +35 -80
  210. package/src/resources/small-molecule/library-screen.ts +35 -80
  211. package/src/version.ts +1 -1
  212. package/uploads.d.mts +1 -0
  213. package/uploads.d.mts.map +1 -1
  214. package/uploads.d.ts +1 -0
  215. package/uploads.d.ts.map +1 -1
  216. package/uploads.mjs +1 -0
  217. package/uploads.mjs.map +1 -1
  218. package/version.d.mts +1 -1
  219. package/version.d.ts +1 -1
  220. package/version.js +1 -1
  221. package/version.mjs +1 -1
package/resources/protein/library-screen.d.ts.map CHANGED
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1
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- {"version":3,"file":"protein.d.ts","sourceRoot":"","sources":["../src/resources/protein.ts"],"names":[],"mappings":""}
1
+ {"version":3,"file":"protein.d.ts","sourceRoot":"","sources":["../src/resources/protein.ts"],"names":[],"mappings":"AAEA,mCAAgC"}
package/resources/protein.mjs.map CHANGED
@@ -1 +1 @@
1
- {"version":3,"file":"protein.mjs","sourceRoot":"","sources":["../src/resources/protein.ts"],"names":[],"mappings":"AAAA,sFAAsF"}
1
+ {"version":3,"file":"protein.mjs","sourceRoot":"","sources":["../src/resources/protein.ts"],"names":[],"mappings":"AAAA,sFAAsF;AAEtF,oCAAgC"}
package/resources/small-molecule/design.d.mts CHANGED
@@ -262,10 +262,10 @@ export declare namespace DesignRetrieveResponse {
262
262
  * Post-translational modifications. Optional; defaults to an empty list when
263
263
  * omitted.
264
264
  */
265
- modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
265
+ modifications?: Array<Entity.Modification>;
266
266
  }
267
267
  namespace Entity {
268
- interface CcdModificationResponse {
268
+ interface Modification {
269
269
  /**
270
270
  * 0-based index of the residue to modify
271
271
  */
@@ -277,17 +277,6 @@ export declare namespace DesignRetrieveResponse {
277
277
  */
278
278
  value: string;
279
279
  }
280
- interface SmilesModificationResponse {
281
- /**
282
- * 0-based index of the residue to modify
283
- */
284
- residue_index: number;
285
- type: 'smiles';
286
- /**
287
- * SMILES string for the modification
288
- */
289
- value: string;
290
- }
291
280
  }
292
281
  /**
293
282
  * Bond between two atoms. Atom-level ligand references currently support
@@ -893,6 +882,10 @@ export interface DesignListResultsResponse {
893
882
  * SMILES string of the designed molecule
894
883
  */
895
884
  smiles: string;
885
+ /**
886
+ * Tier 1 ADME summary values for this molecule.
887
+ */
888
+ adme?: DesignListResultsResponse.Adme;
896
889
  /**
897
890
  * Warnings about potential quality issues with this result.
898
891
  */
@@ -962,6 +955,23 @@ export declare namespace DesignListResultsResponse {
962
955
  */
963
956
  structure_confidence: number;
964
957
  }
958
+ /**
959
+ * Tier 1 ADME summary values for this molecule.
960
+ */
961
+ interface Adme {
962
+ /**
963
+ * Lipophilicity score from the internal LogD prediction.
964
+ */
965
+ lipophilicity: number;
966
+ /**
967
+ * Permeability score for this molecule.
968
+ */
969
+ permeability: number;
970
+ /**
971
+ * Solubility judgement for this molecule.
972
+ */
973
+ solubility: 'high-confidence' | 'medium-confidence' | 'high-risk';
974
+ }
965
975
  /**
966
976
  * A warning about a potential quality issue with a result
967
977
  */
@@ -1125,10 +1135,10 @@ export declare namespace DesignStartResponse {
1125
1135
  * Post-translational modifications. Optional; defaults to an empty list when
1126
1136
  * omitted.
1127
1137
  */
1128
- modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
1138
+ modifications?: Array<Entity.Modification>;
1129
1139
  }
1130
1140
  namespace Entity {
1131
- interface CcdModificationResponse {
1141
+ interface Modification {
1132
1142
  /**
1133
1143
  * 0-based index of the residue to modify
1134
1144
  */
@@ -1140,17 +1150,6 @@ export declare namespace DesignStartResponse {
1140
1150
  */
1141
1151
  value: string;
1142
1152
  }
1143
- interface SmilesModificationResponse {
1144
- /**
1145
- * 0-based index of the residue to modify
1146
- */
1147
- residue_index: number;
1148
- type: 'smiles';
1149
- /**
1150
- * SMILES string for the modification
1151
- */
1152
- value: string;
1153
- }
1154
1153
  }
1155
1154
  /**
1156
1155
  * Bond between two atoms. Atom-level ligand references currently support
@@ -1770,10 +1769,10 @@ export declare namespace DesignStopResponse {
1770
1769
  * Post-translational modifications. Optional; defaults to an empty list when
1771
1770
  * omitted.
1772
1771
  */
1773
- modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
1772
+ modifications?: Array<Entity.Modification>;
1774
1773
  }
1775
1774
  namespace Entity {
1776
- interface CcdModificationResponse {
1775
+ interface Modification {
1777
1776
  /**
1778
1777
  * 0-based index of the residue to modify
1779
1778
  */
@@ -1785,17 +1784,6 @@ export declare namespace DesignStopResponse {
1785
1784
  */
1786
1785
  value: string;
1787
1786
  }
1788
- interface SmilesModificationResponse {
1789
- /**
1790
- * 0-based index of the residue to modify
1791
- */
1792
- residue_index: number;
1793
- type: 'smiles';
1794
- /**
1795
- * SMILES string for the modification
1796
- */
1797
- value: string;
1798
- }
1799
1787
  }
1800
1788
  /**
1801
1789
  * Bond between two atoms. Atom-level ligand references currently support
@@ -2367,10 +2355,10 @@ export declare namespace DesignEstimateCostParams {
2367
2355
  * Post-translational modifications. Optional; defaults to an empty list when
2368
2356
  * omitted.
2369
2357
  */
2370
- modifications?: Array<Entity.CcdModification | Entity.SmilesModification>;
2358
+ modifications?: Array<Entity.Modification>;
2371
2359
  }
2372
2360
  namespace Entity {
2373
- interface CcdModification {
2361
+ interface Modification {
2374
2362
  /**
2375
2363
  * 0-based index of the residue to modify
2376
2364
  */
@@ -2382,17 +2370,6 @@ export declare namespace DesignEstimateCostParams {
2382
2370
  */
2383
2371
  value: string;
2384
2372
  }
2385
- interface SmilesModification {
2386
- /**
2387
- * 0-based index of the residue to modify
2388
- */
2389
- residue_index: number;
2390
- type: 'smiles';
2391
- /**
2392
- * SMILES string for the modification
2393
- */
2394
- value: string;
2395
- }
2396
2373
  }
2397
2374
  /**
2398
2375
  * Bond between two atoms. Atom-level ligand references currently support
@@ -2941,10 +2918,10 @@ export declare namespace DesignStartParams {
2941
2918
  * Post-translational modifications. Optional; defaults to an empty list when
2942
2919
  * omitted.
2943
2920
  */
2944
- modifications?: Array<Entity.CcdModification | Entity.SmilesModification>;
2921
+ modifications?: Array<Entity.Modification>;
2945
2922
  }
2946
2923
  namespace Entity {
2947
- interface CcdModification {
2924
+ interface Modification {
2948
2925
  /**
2949
2926
  * 0-based index of the residue to modify
2950
2927
  */
@@ -2956,17 +2933,6 @@ export declare namespace DesignStartParams {
2956
2933
  */
2957
2934
  value: string;
2958
2935
  }
2959
- interface SmilesModification {
2960
- /**
2961
- * 0-based index of the residue to modify
2962
- */
2963
- residue_index: number;
2964
- type: 'smiles';
2965
- /**
2966
- * SMILES string for the modification
2967
- */
2968
- value: string;
2969
- }
2970
2936
  }
2971
2937
  /**
2972
2938
  * Bond between two atoms. Atom-level ligand references currently support
package/resources/small-molecule/design.d.mts.map CHANGED
@@ -1 +1 @@
1
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