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/small-molecule/library-screen.d.mts.map CHANGED
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package/resources/small-molecule/library-screen.d.ts CHANGED
@@ -252,10 +252,10 @@ export declare namespace LibraryScreenRetrieveResponse {
252
252
  * Post-translational modifications. Optional; defaults to an empty list when
253
253
  * omitted.
254
254
  */
255
- modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
255
+ modifications?: Array<Entity.Modification>;
256
256
  }
257
257
  namespace Entity {
258
- interface CcdModificationResponse {
258
+ interface Modification {
259
259
  /**
260
260
  * 0-based index of the residue to modify
261
261
  */
@@ -267,17 +267,6 @@ export declare namespace LibraryScreenRetrieveResponse {
267
267
  */
268
268
  value: string;
269
269
  }
270
- interface SmilesModificationResponse {
271
- /**
272
- * 0-based index of the residue to modify
273
- */
274
- residue_index: number;
275
- type: 'smiles';
276
- /**
277
- * SMILES string for the modification
278
- */
279
- value: string;
280
- }
281
270
  }
282
271
  /**
283
272
  * Bond between two atoms. Atom-level ligand references currently support
@@ -919,6 +908,10 @@ export interface LibraryScreenListResultsResponse {
919
908
  * SMILES string of the screened molecule
920
909
  */
921
910
  smiles: string;
911
+ /**
912
+ * Tier 1 ADME summary values for this molecule.
913
+ */
914
+ adme?: LibraryScreenListResultsResponse.Adme;
922
915
  /**
923
916
  * Client-provided identifier for this molecule, if provided
924
917
  */
@@ -992,6 +985,23 @@ export declare namespace LibraryScreenListResultsResponse {
992
985
  */
993
986
  structure_confidence: number;
994
987
  }
988
+ /**
989
+ * Tier 1 ADME summary values for this molecule.
990
+ */
991
+ interface Adme {
992
+ /**
993
+ * Lipophilicity score from the internal LogD prediction.
994
+ */
995
+ lipophilicity: number;
996
+ /**
997
+ * Permeability score for this molecule.
998
+ */
999
+ permeability: number;
1000
+ /**
1001
+ * Solubility judgement for this molecule.
1002
+ */
1003
+ solubility: 'high-confidence' | 'medium-confidence' | 'high-risk';
1004
+ }
995
1005
  /**
996
1006
  * A warning about a potential quality issue with a result
997
1007
  */
@@ -1148,10 +1158,10 @@ export declare namespace LibraryScreenStartResponse {
1148
1158
  * Post-translational modifications. Optional; defaults to an empty list when
1149
1159
  * omitted.
1150
1160
  */
1151
- modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
1161
+ modifications?: Array<Entity.Modification>;
1152
1162
  }
1153
1163
  namespace Entity {
1154
- interface CcdModificationResponse {
1164
+ interface Modification {
1155
1165
  /**
1156
1166
  * 0-based index of the residue to modify
1157
1167
  */
@@ -1163,17 +1173,6 @@ export declare namespace LibraryScreenStartResponse {
1163
1173
  */
1164
1174
  value: string;
1165
1175
  }
1166
- interface SmilesModificationResponse {
1167
- /**
1168
- * 0-based index of the residue to modify
1169
- */
1170
- residue_index: number;
1171
- type: 'smiles';
1172
- /**
1173
- * SMILES string for the modification
1174
- */
1175
- value: string;
1176
- }
1177
1176
  }
1178
1177
  /**
1179
1178
  * Bond between two atoms. Atom-level ligand references currently support
@@ -1804,10 +1803,10 @@ export declare namespace LibraryScreenStopResponse {
1804
1803
  * Post-translational modifications. Optional; defaults to an empty list when
1805
1804
  * omitted.
1806
1805
  */
1807
- modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
1806
+ modifications?: Array<Entity.Modification>;
1808
1807
  }
1809
1808
  namespace Entity {
1810
- interface CcdModificationResponse {
1809
+ interface Modification {
1811
1810
  /**
1812
1811
  * 0-based index of the residue to modify
1813
1812
  */
@@ -1819,17 +1818,6 @@ export declare namespace LibraryScreenStopResponse {
1819
1818
  */
1820
1819
  value: string;
1821
1820
  }
1822
- interface SmilesModificationResponse {
1823
- /**
1824
- * 0-based index of the residue to modify
1825
- */
1826
- residue_index: number;
1827
- type: 'smiles';
1828
- /**
1829
- * SMILES string for the modification
1830
- */
1831
- value: string;
1832
- }
1833
1821
  }
1834
1822
  /**
1835
1823
  * Bond between two atoms. Atom-level ligand references currently support
@@ -2426,10 +2414,10 @@ export declare namespace LibraryScreenEstimateCostParams {
2426
2414
  * Post-translational modifications. Optional; defaults to an empty list when
2427
2415
  * omitted.
2428
2416
  */
2429
- modifications?: Array<Entity.CcdModification | Entity.SmilesModification>;
2417
+ modifications?: Array<Entity.Modification>;
2430
2418
  }
2431
2419
  namespace Entity {
2432
- interface CcdModification {
2420
+ interface Modification {
2433
2421
  /**
2434
2422
  * 0-based index of the residue to modify
2435
2423
  */
@@ -2441,17 +2429,6 @@ export declare namespace LibraryScreenEstimateCostParams {
2441
2429
  */
2442
2430
  value: string;
2443
2431
  }
2444
- interface SmilesModification {
2445
- /**
2446
- * 0-based index of the residue to modify
2447
- */
2448
- residue_index: number;
2449
- type: 'smiles';
2450
- /**
2451
- * SMILES string for the modification
2452
- */
2453
- value: string;
2454
- }
2455
2432
  }
2456
2433
  /**
2457
2434
  * Bond between two atoms. Atom-level ligand references currently support
@@ -3007,10 +2984,10 @@ export declare namespace LibraryScreenStartParams {
3007
2984
  * Post-translational modifications. Optional; defaults to an empty list when
3008
2985
  * omitted.
3009
2986
  */
3010
- modifications?: Array<Entity.CcdModification | Entity.SmilesModification>;
2987
+ modifications?: Array<Entity.Modification>;
3011
2988
  }
3012
2989
  namespace Entity {
3013
- interface CcdModification {
2990
+ interface Modification {
3014
2991
  /**
3015
2992
  * 0-based index of the residue to modify
3016
2993
  */
@@ -3022,17 +2999,6 @@ export declare namespace LibraryScreenStartParams {
3022
2999
  */
3023
3000
  value: string;
3024
3001
  }
3025
- interface SmilesModification {
3026
- /**
3027
- * 0-based index of the residue to modify
3028
- */
3029
- residue_index: number;
3030
- type: 'smiles';
3031
- /**
3032
- * SMILES string for the modification
3033
- */
3034
- value: string;
3035
- }
3036
3002
  }
3037
3003
  /**
3038
3004
  * Bond between two atoms. Atom-level ligand references currently support
package/resources/small-molecule/library-screen.d.ts.map CHANGED
@@ -1 +1 @@
1
- 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