boltz-api 0.35.3 → 0.37.0
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.
- package/CHANGELOG.md +16 -0
- package/package.json +1 -1
- package/resources/admin/usage.d.mts +2 -2
- package/resources/admin/usage.d.mts.map +1 -1
- package/resources/admin/usage.d.ts +2 -2
- package/resources/admin/usage.d.ts.map +1 -1
- package/resources/predictions/structure-and-binding.d.mts +21 -1
- package/resources/predictions/structure-and-binding.d.mts.map +1 -1
- package/resources/predictions/structure-and-binding.d.ts +21 -1
- package/resources/predictions/structure-and-binding.d.ts.map +1 -1
- package/resources/protein/design.d.mts +1 -1
- package/resources/protein/design.d.mts.map +1 -1
- package/resources/protein/design.d.ts +1 -1
- package/resources/protein/design.d.ts.map +1 -1
- package/resources/protein/library-screen.d.mts +1 -1
- package/resources/protein/library-screen.d.mts.map +1 -1
- package/resources/protein/library-screen.d.ts +1 -1
- package/resources/protein/library-screen.d.ts.map +1 -1
- package/resources/small-molecule/design.d.mts +61 -11
- package/resources/small-molecule/design.d.mts.map +1 -1
- package/resources/small-molecule/design.d.ts +61 -11
- package/resources/small-molecule/design.d.ts.map +1 -1
- package/resources/small-molecule/library-screen.d.mts +61 -11
- package/resources/small-molecule/library-screen.d.mts.map +1 -1
- package/resources/small-molecule/library-screen.d.ts +61 -11
- package/resources/small-molecule/library-screen.d.ts.map +1 -1
- package/src/resources/admin/usage.ts +3 -0
- package/src/resources/predictions/structure-and-binding.ts +25 -0
- package/src/resources/protein/design.ts +1 -0
- package/src/resources/protein/library-screen.ts +1 -0
- package/src/resources/small-molecule/design.ts +71 -10
- package/src/resources/small-molecule/library-screen.ts +71 -10
- package/src/version.ts +1 -1
- package/version.d.mts +1 -1
- package/version.d.ts +1 -1
- package/version.js +1 -1
- package/version.mjs +1 -1
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1
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@@ -176,7 +176,7 @@ export declare namespace LibraryScreenRetrieveResponse {
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interface Input {
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molecules: Input.Molecules;
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/**
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-
* Target protein
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+
* Target protein sequences for small molecule design or screening.
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*/
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target: Input.Target;
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/**
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@@ -197,7 +197,7 @@ export declare namespace LibraryScreenRetrieveResponse {
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url_expires_at: string;
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}
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/**
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-
* Target protein
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* Target protein sequences for small molecule design or screening.
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*/
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interface Target {
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/**
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@@ -215,6 +215,11 @@ export declare namespace LibraryScreenRetrieveResponse {
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* currently support ligand_ccd only; ligand_smiles is unsupported.
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*/
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constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
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+
/**
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+
* When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
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+
* while scoring candidate molecules. Defaults to false.
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+
*/
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+
enable_pocket_conditioning?: boolean;
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/**
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* Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
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220
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* and the value is an array of 0-indexed residue indices that define the binding
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@@ -232,6 +237,11 @@ export declare namespace LibraryScreenRetrieveResponse {
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* detection.
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*/
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reference_ligands?: Array<string>;
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240
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+
/**
|
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241
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+
* Target is defined directly by protein sequences rather than a structure
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+
* template.
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+
*/
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+
type?: 'no_template';
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235
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}
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namespace Target {
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237
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interface Entity {
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@@ -875,7 +885,7 @@ export declare namespace LibraryScreenEstimateCostResponse {
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875
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* Cost breakdown for the billed application.
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876
886
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*/
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877
887
|
interface Breakdown {
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878
|
-
application: 'structure_and_binding' | 'small_molecule_design' | 'small_molecule_library_screen' | 'protein_design' | 'protein_library_screen' | 'adme';
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888
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+
application: 'structure_and_binding' | 'small_molecule_design' | 'small_molecule_library_screen' | 'protein_design' | 'protein_redesign' | 'protein_library_screen' | 'adme';
|
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879
889
|
/**
|
|
880
890
|
* Estimated cost per displayed unit as a decimal string, rounded up to 4 decimal
|
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881
891
|
* places. This may include token-size multipliers or generation overhead;
|
|
@@ -1082,7 +1092,7 @@ export declare namespace LibraryScreenStartResponse {
|
|
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1082
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interface Input {
|
|
1083
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|
molecules: Input.Molecules;
|
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1084
1094
|
/**
|
|
1085
|
-
* Target protein
|
|
1095
|
+
* Target protein sequences for small molecule design or screening.
|
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1086
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|
*/
|
|
1087
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|
target: Input.Target;
|
|
1088
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|
/**
|
|
@@ -1103,7 +1113,7 @@ export declare namespace LibraryScreenStartResponse {
|
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|
1103
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|
url_expires_at: string;
|
|
1104
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|
}
|
|
1105
1115
|
/**
|
|
1106
|
-
* Target protein
|
|
1116
|
+
* Target protein sequences for small molecule design or screening.
|
|
1107
1117
|
*/
|
|
1108
1118
|
interface Target {
|
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1109
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|
/**
|
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@@ -1121,6 +1131,11 @@ export declare namespace LibraryScreenStartResponse {
|
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* currently support ligand_ccd only; ligand_smiles is unsupported.
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|
*/
|
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|
constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
|
|
1134
|
+
/**
|
|
1135
|
+
* When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
|
|
1136
|
+
* while scoring candidate molecules. Defaults to false.
|
|
1137
|
+
*/
|
|
1138
|
+
enable_pocket_conditioning?: boolean;
|
|
1124
1139
|
/**
|
|
1125
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|
* Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
|
|
1126
1141
|
* and the value is an array of 0-indexed residue indices that define the binding
|
|
@@ -1138,6 +1153,11 @@ export declare namespace LibraryScreenStartResponse {
|
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1138
1153
|
* detection.
|
|
1139
1154
|
*/
|
|
1140
1155
|
reference_ligands?: Array<string>;
|
|
1156
|
+
/**
|
|
1157
|
+
* Target is defined directly by protein sequences rather than a structure
|
|
1158
|
+
* template.
|
|
1159
|
+
*/
|
|
1160
|
+
type?: 'no_template';
|
|
1141
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|
}
|
|
1142
1162
|
namespace Target {
|
|
1143
1163
|
interface Entity {
|
|
@@ -1727,7 +1747,7 @@ export declare namespace LibraryScreenStopResponse {
|
|
|
1727
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|
interface Input {
|
|
1728
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|
molecules: Input.Molecules;
|
|
1729
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|
/**
|
|
1730
|
-
* Target protein
|
|
1750
|
+
* Target protein sequences for small molecule design or screening.
|
|
1731
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|
*/
|
|
1732
1752
|
target: Input.Target;
|
|
1733
1753
|
/**
|
|
@@ -1748,7 +1768,7 @@ export declare namespace LibraryScreenStopResponse {
|
|
|
1748
1768
|
url_expires_at: string;
|
|
1749
1769
|
}
|
|
1750
1770
|
/**
|
|
1751
|
-
* Target protein
|
|
1771
|
+
* Target protein sequences for small molecule design or screening.
|
|
1752
1772
|
*/
|
|
1753
1773
|
interface Target {
|
|
1754
1774
|
/**
|
|
@@ -1766,6 +1786,11 @@ export declare namespace LibraryScreenStopResponse {
|
|
|
1766
1786
|
* currently support ligand_ccd only; ligand_smiles is unsupported.
|
|
1767
1787
|
*/
|
|
1768
1788
|
constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
|
|
1789
|
+
/**
|
|
1790
|
+
* When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
|
|
1791
|
+
* while scoring candidate molecules. Defaults to false.
|
|
1792
|
+
*/
|
|
1793
|
+
enable_pocket_conditioning?: boolean;
|
|
1769
1794
|
/**
|
|
1770
1795
|
* Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
|
|
1771
1796
|
* and the value is an array of 0-indexed residue indices that define the binding
|
|
@@ -1783,6 +1808,11 @@ export declare namespace LibraryScreenStopResponse {
|
|
|
1783
1808
|
* detection.
|
|
1784
1809
|
*/
|
|
1785
1810
|
reference_ligands?: Array<string>;
|
|
1811
|
+
/**
|
|
1812
|
+
* Target is defined directly by protein sequences rather than a structure
|
|
1813
|
+
* template.
|
|
1814
|
+
*/
|
|
1815
|
+
type?: 'no_template';
|
|
1786
1816
|
}
|
|
1787
1817
|
namespace Target {
|
|
1788
1818
|
interface Entity {
|
|
@@ -2327,7 +2357,7 @@ export interface LibraryScreenEstimateCostParams {
|
|
|
2327
2357
|
*/
|
|
2328
2358
|
molecules: Array<LibraryScreenEstimateCostParams.Molecule>;
|
|
2329
2359
|
/**
|
|
2330
|
-
* Target protein
|
|
2360
|
+
* Target protein sequences for small molecule design or screening.
|
|
2331
2361
|
*/
|
|
2332
2362
|
target: LibraryScreenEstimateCostParams.Target;
|
|
2333
2363
|
/**
|
|
@@ -2359,7 +2389,7 @@ export declare namespace LibraryScreenEstimateCostParams {
|
|
|
2359
2389
|
id?: string;
|
|
2360
2390
|
}
|
|
2361
2391
|
/**
|
|
2362
|
-
* Target protein
|
|
2392
|
+
* Target protein sequences for small molecule design or screening.
|
|
2363
2393
|
*/
|
|
2364
2394
|
interface Target {
|
|
2365
2395
|
/**
|
|
@@ -2377,6 +2407,11 @@ export declare namespace LibraryScreenEstimateCostParams {
|
|
|
2377
2407
|
* currently support ligand_ccd only; ligand_smiles is unsupported.
|
|
2378
2408
|
*/
|
|
2379
2409
|
constraints?: Array<Target.PocketConstraint | Target.ContactConstraint>;
|
|
2410
|
+
/**
|
|
2411
|
+
* When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
|
|
2412
|
+
* while scoring candidate molecules. Defaults to false.
|
|
2413
|
+
*/
|
|
2414
|
+
enable_pocket_conditioning?: boolean;
|
|
2380
2415
|
/**
|
|
2381
2416
|
* Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
|
|
2382
2417
|
* and the value is an array of 0-indexed residue indices that define the binding
|
|
@@ -2394,6 +2429,11 @@ export declare namespace LibraryScreenEstimateCostParams {
|
|
|
2394
2429
|
* detection.
|
|
2395
2430
|
*/
|
|
2396
2431
|
reference_ligands?: Array<string>;
|
|
2432
|
+
/**
|
|
2433
|
+
* Target is defined directly by protein sequences rather than a structure
|
|
2434
|
+
* template.
|
|
2435
|
+
*/
|
|
2436
|
+
type?: 'no_template';
|
|
2397
2437
|
}
|
|
2398
2438
|
namespace Target {
|
|
2399
2439
|
interface Entity {
|
|
@@ -2897,7 +2937,7 @@ export interface LibraryScreenStartParams {
|
|
|
2897
2937
|
*/
|
|
2898
2938
|
molecules: Array<LibraryScreenStartParams.Molecule>;
|
|
2899
2939
|
/**
|
|
2900
|
-
* Target protein
|
|
2940
|
+
* Target protein sequences for small molecule design or screening.
|
|
2901
2941
|
*/
|
|
2902
2942
|
target: LibraryScreenStartParams.Target;
|
|
2903
2943
|
/**
|
|
@@ -2929,7 +2969,7 @@ export declare namespace LibraryScreenStartParams {
|
|
|
2929
2969
|
id?: string;
|
|
2930
2970
|
}
|
|
2931
2971
|
/**
|
|
2932
|
-
* Target protein
|
|
2972
|
+
* Target protein sequences for small molecule design or screening.
|
|
2933
2973
|
*/
|
|
2934
2974
|
interface Target {
|
|
2935
2975
|
/**
|
|
@@ -2947,6 +2987,11 @@ export declare namespace LibraryScreenStartParams {
|
|
|
2947
2987
|
* currently support ligand_ccd only; ligand_smiles is unsupported.
|
|
2948
2988
|
*/
|
|
2949
2989
|
constraints?: Array<Target.PocketConstraint | Target.ContactConstraint>;
|
|
2990
|
+
/**
|
|
2991
|
+
* When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
|
|
2992
|
+
* while scoring candidate molecules. Defaults to false.
|
|
2993
|
+
*/
|
|
2994
|
+
enable_pocket_conditioning?: boolean;
|
|
2950
2995
|
/**
|
|
2951
2996
|
* Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
|
|
2952
2997
|
* and the value is an array of 0-indexed residue indices that define the binding
|
|
@@ -2964,6 +3009,11 @@ export declare namespace LibraryScreenStartParams {
|
|
|
2964
3009
|
* detection.
|
|
2965
3010
|
*/
|
|
2966
3011
|
reference_ligands?: Array<string>;
|
|
3012
|
+
/**
|
|
3013
|
+
* Target is defined directly by protein sequences rather than a structure
|
|
3014
|
+
* template.
|
|
3015
|
+
*/
|
|
3016
|
+
type?: 'no_template';
|
|
2967
3017
|
}
|
|
2968
3018
|
namespace Target {
|
|
2969
3019
|
interface Entity {
|
|
@@ -1 +1 @@
|
|
|
1
|
-
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1
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@@ -40,6 +40,7 @@ export interface UsageListResponse {
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| 'small_molecule_design'
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| 'protein_design'
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| 'protein_redesign'
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| 'adme';
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@@ -76,6 +77,7 @@ export interface UsageListParams extends OpaqueCursorPageParams {
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| Array<
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@@ -83,6 +85,7 @@ export interface UsageListParams extends OpaqueCursorPageParams {
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| 'protein_redesign'
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| 'adme'
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>;
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