boltz-api 0.30.3 → 0.35.2
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 +75 -0
- package/api-promise.d.mts +1 -0
- package/api-promise.d.mts.map +1 -1
- package/api-promise.d.ts +1 -0
- package/api-promise.d.ts.map +1 -1
- package/api-promise.mjs +1 -0
- package/api-promise.mjs.map +1 -1
- package/client.d.mts.map +1 -1
- package/client.d.ts.map +1 -1
- package/client.mjs.map +1 -1
- package/core/api-promise.d.mts.map +1 -1
- package/core/api-promise.d.ts.map +1 -1
- package/core/api-promise.mjs.map +1 -1
- package/core/error.mjs.map +1 -1
- package/core/pagination.d.mts.map +1 -1
- package/core/pagination.d.ts.map +1 -1
- package/core/pagination.mjs.map +1 -1
- package/core/resource.d.mts.map +1 -1
- package/core/resource.d.ts.map +1 -1
- package/core/uploads.d.mts.map +1 -1
- package/core/uploads.d.ts.map +1 -1
- package/core/uploads.mjs.map +1 -1
- package/error.d.mts +1 -0
- package/error.d.mts.map +1 -1
- package/error.d.ts +1 -0
- package/error.d.ts.map +1 -1
- package/error.mjs +1 -0
- package/error.mjs.map +1 -1
- package/index.d.mts.map +1 -1
- package/index.d.ts.map +1 -1
- package/index.mjs.map +1 -1
- package/internal/detect-platform.mjs.map +1 -1
- package/internal/headers.mjs.map +1 -1
- package/internal/parse.d.mts.map +1 -1
- package/internal/parse.d.ts.map +1 -1
- package/internal/parse.mjs.map +1 -1
- package/internal/qs/formats.d.mts.map +1 -1
- package/internal/qs/formats.d.ts.map +1 -1
- package/internal/qs/index.d.mts +2 -2
- package/internal/qs/index.d.mts.map +1 -1
- package/internal/qs/index.d.ts +2 -2
- package/internal/qs/index.d.ts.map +1 -1
- package/internal/qs/index.mjs.map +1 -1
- package/internal/qs/stringify.d.mts.map +1 -1
- package/internal/qs/stringify.d.ts.map +1 -1
- package/internal/qs/stringify.mjs.map +1 -1
- package/internal/qs/utils.d.mts.map +1 -1
- package/internal/qs/utils.d.ts.map +1 -1
- package/internal/qs/utils.mjs.map +1 -1
- package/internal/request-options.d.mts.map +1 -1
- package/internal/request-options.d.ts.map +1 -1
- package/internal/shims.d.mts +6 -0
- package/internal/shims.d.mts.map +1 -1
- package/internal/shims.d.ts +6 -0
- package/internal/shims.d.ts.map +1 -1
- package/internal/to-file.d.mts.map +1 -1
- package/internal/to-file.d.ts.map +1 -1
- package/internal/to-file.mjs.map +1 -1
- package/internal/types.d.mts +4 -4
- package/internal/types.d.mts.map +1 -1
- package/internal/types.d.ts +4 -4
- package/internal/types.d.ts.map +1 -1
- package/internal/uploads.d.mts.map +1 -1
- package/internal/uploads.d.ts.map +1 -1
- package/internal/uploads.mjs.map +1 -1
- package/internal/utils/base64.mjs.map +1 -1
- package/internal/utils/log.d.mts.map +1 -1
- package/internal/utils/log.d.ts.map +1 -1
- package/internal/utils/log.js +3 -2
- package/internal/utils/log.js.map +1 -1
- package/internal/utils/log.mjs +3 -2
- package/internal/utils/log.mjs.map +1 -1
- package/internal/utils/path.mjs.map +1 -1
- package/internal/utils/query.mjs.map +1 -1
- package/internal/utils/values.mjs.map +1 -1
- package/internal/utils.d.mts.map +1 -1
- package/internal/utils.d.ts.map +1 -1
- package/internal/utils.mjs.map +1 -1
- package/package.json +1 -1
- package/pagination.d.mts +1 -0
- package/pagination.d.mts.map +1 -1
- package/pagination.d.ts +1 -0
- package/pagination.d.ts.map +1 -1
- package/pagination.mjs +1 -0
- package/pagination.mjs.map +1 -1
- package/resource.d.mts +1 -0
- package/resource.d.mts.map +1 -1
- package/resource.d.ts +1 -0
- package/resource.d.ts.map +1 -1
- package/resource.mjs +1 -0
- package/resource.mjs.map +1 -1
- package/resources/admin/admin.d.mts +2 -2
- package/resources/admin/admin.d.mts.map +1 -1
- package/resources/admin/admin.d.ts +2 -2
- package/resources/admin/admin.d.ts.map +1 -1
- package/resources/admin/admin.js.map +1 -1
- package/resources/admin/admin.mjs.map +1 -1
- package/resources/admin/api-keys.d.mts.map +1 -1
- package/resources/admin/api-keys.d.ts.map +1 -1
- package/resources/admin/api-keys.mjs.map +1 -1
- package/resources/admin/index.d.mts +1 -1
- package/resources/admin/index.d.mts.map +1 -1
- package/resources/admin/index.d.ts +1 -1
- package/resources/admin/index.d.ts.map +1 -1
- package/resources/admin/index.js.map +1 -1
- package/resources/admin/index.mjs.map +1 -1
- package/resources/admin/usage.d.mts.map +1 -1
- package/resources/admin/usage.d.ts.map +1 -1
- package/resources/admin/usage.mjs.map +1 -1
- package/resources/admin/workspaces.d.mts +94 -1
- package/resources/admin/workspaces.d.mts.map +1 -1
- package/resources/admin/workspaces.d.ts +94 -1
- package/resources/admin/workspaces.d.ts.map +1 -1
- package/resources/admin/workspaces.js +15 -0
- package/resources/admin/workspaces.js.map +1 -1
- package/resources/admin/workspaces.mjs +15 -0
- package/resources/admin/workspaces.mjs.map +1 -1
- package/resources/admin.d.mts.map +1 -1
- package/resources/admin.d.ts.map +1 -1
- package/resources/admin.mjs.map +1 -1
- package/resources/auth.d.mts.map +1 -1
- package/resources/auth.d.ts.map +1 -1
- package/resources/auth.mjs.map +1 -1
- package/resources/cli.d.mts.map +1 -1
- package/resources/cli.d.ts.map +1 -1
- package/resources/cli.mjs.map +1 -1
- package/resources/index.d.mts.map +1 -1
- package/resources/index.d.ts.map +1 -1
- package/resources/index.mjs.map +1 -1
- package/resources/predictions/adme.d.mts +539 -0
- package/resources/predictions/adme.d.mts.map +1 -0
- package/resources/predictions/adme.d.ts +539 -0
- package/resources/predictions/adme.d.ts.map +1 -0
- package/resources/predictions/adme.js +72 -0
- package/resources/predictions/adme.js.map +1 -0
- package/resources/predictions/adme.mjs +68 -0
- package/resources/predictions/adme.mjs.map +1 -0
- package/resources/predictions/index.d.mts +1 -0
- package/resources/predictions/index.d.mts.map +1 -1
- package/resources/predictions/index.d.ts +1 -0
- package/resources/predictions/index.d.ts.map +1 -1
- package/resources/predictions/index.js +3 -1
- package/resources/predictions/index.js.map +1 -1
- package/resources/predictions/index.mjs +1 -0
- package/resources/predictions/index.mjs.map +1 -1
- package/resources/predictions/predictions.d.mts +4 -0
- package/resources/predictions/predictions.d.mts.map +1 -1
- package/resources/predictions/predictions.d.ts +4 -0
- package/resources/predictions/predictions.d.ts.map +1 -1
- package/resources/predictions/predictions.js +4 -0
- package/resources/predictions/predictions.js.map +1 -1
- package/resources/predictions/predictions.mjs +4 -0
- package/resources/predictions/predictions.mjs.map +1 -1
- package/resources/predictions/structure-and-binding.d.mts.map +1 -1
- package/resources/predictions/structure-and-binding.d.ts.map +1 -1
- package/resources/predictions/structure-and-binding.mjs.map +1 -1
- package/resources/predictions.d.mts.map +1 -1
- package/resources/predictions.d.ts.map +1 -1
- package/resources/predictions.mjs.map +1 -1
- package/resources/protein/design.d.mts +85 -15
- package/resources/protein/design.d.mts.map +1 -1
- package/resources/protein/design.d.ts +85 -15
- package/resources/protein/design.d.ts.map +1 -1
- package/resources/protein/design.mjs.map +1 -1
- package/resources/protein/index.d.mts.map +1 -1
- package/resources/protein/index.d.ts.map +1 -1
- package/resources/protein/index.mjs.map +1 -1
- package/resources/protein/library-screen.d.mts +85 -15
- package/resources/protein/library-screen.d.mts.map +1 -1
- package/resources/protein/library-screen.d.ts +85 -15
- package/resources/protein/library-screen.d.ts.map +1 -1
- package/resources/protein/library-screen.mjs.map +1 -1
- package/resources/protein/protein.d.mts.map +1 -1
- package/resources/protein/protein.d.ts.map +1 -1
- package/resources/protein/protein.mjs.map +1 -1
- package/resources/protein.d.mts.map +1 -1
- package/resources/protein.d.ts.map +1 -1
- package/resources/protein.mjs.map +1 -1
- package/resources/small-molecule/design.d.mts +21 -0
- package/resources/small-molecule/design.d.mts.map +1 -1
- package/resources/small-molecule/design.d.ts +21 -0
- package/resources/small-molecule/design.d.ts.map +1 -1
- package/resources/small-molecule/design.mjs.map +1 -1
- package/resources/small-molecule/index.d.mts.map +1 -1
- package/resources/small-molecule/index.d.ts.map +1 -1
- package/resources/small-molecule/index.mjs.map +1 -1
- package/resources/small-molecule/library-screen.d.mts +21 -0
- package/resources/small-molecule/library-screen.d.mts.map +1 -1
- package/resources/small-molecule/library-screen.d.ts +21 -0
- package/resources/small-molecule/library-screen.d.ts.map +1 -1
- package/resources/small-molecule/library-screen.mjs.map +1 -1
- package/resources/small-molecule/small-molecule.d.mts.map +1 -1
- package/resources/small-molecule/small-molecule.d.ts.map +1 -1
- package/resources/small-molecule/small-molecule.mjs.map +1 -1
- package/resources/small-molecule.d.mts.map +1 -1
- package/resources/small-molecule.d.ts.map +1 -1
- package/resources/small-molecule.mjs.map +1 -1
- package/resources.d.mts.map +1 -1
- package/resources.d.ts.map +1 -1
- package/resources.mjs.map +1 -1
- package/src/internal/utils/log.ts +2 -1
- package/src/resources/admin/admin.ts +6 -0
- package/src/resources/admin/index.ts +3 -0
- package/src/resources/admin/workspaces.ts +131 -1
- package/src/resources/predictions/adme.ts +682 -0
- package/src/resources/predictions/index.ts +11 -0
- package/src/resources/predictions/predictions.ts +26 -0
- package/src/resources/protein/design.ts +85 -15
- package/src/resources/protein/library-screen.ts +85 -15
- package/src/resources/small-molecule/design.ts +25 -0
- package/src/resources/small-molecule/library-screen.ts +25 -0
- package/src/version.ts +1 -1
- package/uploads.d.mts +1 -0
- package/uploads.d.mts.map +1 -1
- package/uploads.d.ts +1 -0
- package/uploads.d.ts.map +1 -1
- package/uploads.mjs +1 -0
- package/uploads.mjs.map +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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// File generated from our OpenAPI spec by Stainless. See CONTRIBUTING.md for details.
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import { APIResource } from '../../core/resource';
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import * as AdmeAPI from './adme';
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import {
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Adme,
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AdmeDeleteDataResponse,
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AdmeListParams,
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AdmeListResponse,
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AdmeListResponsesCursorPage,
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AdmeRetrieveParams,
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AdmeRetrieveResponse,
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} from './adme';
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import * as StructureAndBindingAPI from './structure-and-binding';
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export class Predictions extends APIResource {
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structureAndBinding: StructureAndBindingAPI.StructureAndBinding =
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new StructureAndBindingAPI.StructureAndBinding(this._client);
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adme: AdmeAPI.Adme = new AdmeAPI.Adme(this._client);
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}
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Predictions.StructureAndBinding = StructureAndBinding;
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export declare namespace Predictions {
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export {
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type StructureAndBindingEstimateCostParams as StructureAndBindingEstimateCostParams,
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type StructureAndBindingStartParams as StructureAndBindingStartParams,
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};
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export {
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Adme as Adme,
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type AdmeRetrieveResponse as AdmeRetrieveResponse,
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type AdmeListResponse as AdmeListResponse,
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type AdmeDeleteDataResponse as AdmeDeleteDataResponse,
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type AdmeStartResponse as AdmeStartResponse,
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type AdmeListResponsesCursorPage as AdmeListResponsesCursorPage,
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type AdmeRetrieveParams as AdmeRetrieveParams,
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type AdmeListParams as AdmeListParams,
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type AdmeStartParams as AdmeStartParams,
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};
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}
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* listed here are included in the engine run — any chains omitted from this
|
|
4105
4133
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
4106
|
-
* epitope residues, and which are flexible.
|
|
4134
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
4107
4135
|
*/
|
|
4108
4136
|
chain_selection: {
|
|
4109
4137
|
[key: string]:
|
|
@@ -4132,7 +4160,8 @@ export namespace DesignStopResponse {
|
|
|
4132
4160
|
|
|
4133
4161
|
/**
|
|
4134
4162
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
4135
|
-
* indices must be present in crop_residues
|
|
4163
|
+
* indices must be present in crop_residues and must not overlap
|
|
4164
|
+
* non_binding_residues.
|
|
4136
4165
|
*/
|
|
4137
4166
|
epitope_residues?: Array<number>;
|
|
4138
4167
|
|
|
@@ -4141,6 +4170,12 @@ export namespace DesignStopResponse {
|
|
|
4141
4170
|
* regions). All indices must be present in crop_residues.
|
|
4142
4171
|
*/
|
|
4143
4172
|
flexible_residues?: Array<number>;
|
|
4173
|
+
|
|
4174
|
+
/**
|
|
4175
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
4176
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
4177
|
+
*/
|
|
4178
|
+
non_binding_residues?: Array<number>;
|
|
4144
4179
|
}
|
|
4145
4180
|
|
|
4146
4181
|
/**
|
|
@@ -4204,9 +4239,16 @@ export namespace DesignStopResponse {
|
|
|
4204
4239
|
/**
|
|
4205
4240
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
4206
4241
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
4207
|
-
* indices.
|
|
4242
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
4208
4243
|
*/
|
|
4209
4244
|
epitope_residues?: { [key: string]: Array<number> };
|
|
4245
|
+
|
|
4246
|
+
/**
|
|
4247
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
4248
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
4249
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
4250
|
+
*/
|
|
4251
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
4210
4252
|
}
|
|
4211
4253
|
|
|
4212
4254
|
export namespace NoTemplateTargetResponse {
|
|
@@ -5374,7 +5416,7 @@ export namespace DesignEstimateCostParams {
|
|
|
5374
5416
|
* Chains selected from the uploaded structure, keyed by chain ID. Only chains
|
|
5375
5417
|
* listed here are included in the engine run — any chains omitted from this
|
|
5376
5418
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
5377
|
-
* epitope residues, and which are flexible.
|
|
5419
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
5378
5420
|
*/
|
|
5379
5421
|
chain_selection: {
|
|
5380
5422
|
[key: string]:
|
|
@@ -5407,7 +5449,8 @@ export namespace DesignEstimateCostParams {
|
|
|
5407
5449
|
|
|
5408
5450
|
/**
|
|
5409
5451
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
5410
|
-
* indices must be present in crop_residues
|
|
5452
|
+
* indices must be present in crop_residues and must not overlap
|
|
5453
|
+
* non_binding_residues.
|
|
5411
5454
|
*/
|
|
5412
5455
|
epitope_residues?: Array<number>;
|
|
5413
5456
|
|
|
@@ -5416,6 +5459,12 @@ export namespace DesignEstimateCostParams {
|
|
|
5416
5459
|
* regions). All indices must be present in crop_residues.
|
|
5417
5460
|
*/
|
|
5418
5461
|
flexible_residues?: Array<number>;
|
|
5462
|
+
|
|
5463
|
+
/**
|
|
5464
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
5465
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
5466
|
+
*/
|
|
5467
|
+
non_binding_residues?: Array<number>;
|
|
5419
5468
|
}
|
|
5420
5469
|
|
|
5421
5470
|
/**
|
|
@@ -5485,9 +5534,16 @@ export namespace DesignEstimateCostParams {
|
|
|
5485
5534
|
/**
|
|
5486
5535
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
5487
5536
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
5488
|
-
* indices.
|
|
5537
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
5489
5538
|
*/
|
|
5490
5539
|
epitope_residues?: { [key: string]: Array<number> };
|
|
5540
|
+
|
|
5541
|
+
/**
|
|
5542
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
5543
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
5544
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
5545
|
+
*/
|
|
5546
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
5491
5547
|
}
|
|
5492
5548
|
|
|
5493
5549
|
export namespace NoTemplateTarget {
|
|
@@ -6618,7 +6674,7 @@ export namespace DesignStartParams {
|
|
|
6618
6674
|
* Chains selected from the uploaded structure, keyed by chain ID. Only chains
|
|
6619
6675
|
* listed here are included in the engine run — any chains omitted from this
|
|
6620
6676
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
6621
|
-
* epitope residues, and which are flexible.
|
|
6677
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
6622
6678
|
*/
|
|
6623
6679
|
chain_selection: {
|
|
6624
6680
|
[key: string]:
|
|
@@ -6651,7 +6707,8 @@ export namespace DesignStartParams {
|
|
|
6651
6707
|
|
|
6652
6708
|
/**
|
|
6653
6709
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
6654
|
-
* indices must be present in crop_residues
|
|
6710
|
+
* indices must be present in crop_residues and must not overlap
|
|
6711
|
+
* non_binding_residues.
|
|
6655
6712
|
*/
|
|
6656
6713
|
epitope_residues?: Array<number>;
|
|
6657
6714
|
|
|
@@ -6660,6 +6717,12 @@ export namespace DesignStartParams {
|
|
|
6660
6717
|
* regions). All indices must be present in crop_residues.
|
|
6661
6718
|
*/
|
|
6662
6719
|
flexible_residues?: Array<number>;
|
|
6720
|
+
|
|
6721
|
+
/**
|
|
6722
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
6723
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
6724
|
+
*/
|
|
6725
|
+
non_binding_residues?: Array<number>;
|
|
6663
6726
|
}
|
|
6664
6727
|
|
|
6665
6728
|
/**
|
|
@@ -6729,9 +6792,16 @@ export namespace DesignStartParams {
|
|
|
6729
6792
|
/**
|
|
6730
6793
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
6731
6794
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
6732
|
-
* indices.
|
|
6795
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
6733
6796
|
*/
|
|
6734
6797
|
epitope_residues?: { [key: string]: Array<number> };
|
|
6798
|
+
|
|
6799
|
+
/**
|
|
6800
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
6801
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
6802
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
6803
|
+
*/
|
|
6804
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
6735
6805
|
}
|
|
6736
6806
|
|
|
6737
6807
|
export namespace NoTemplateTarget {
|
|
@@ -300,7 +300,7 @@ export namespace LibraryScreenRetrieveResponse {
|
|
|
300
300
|
* Chains selected from the uploaded structure, keyed by chain ID. Only chains
|
|
301
301
|
* listed here are included in the engine run — any chains omitted from this
|
|
302
302
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
303
|
-
* epitope residues, and which are flexible.
|
|
303
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
304
304
|
*/
|
|
305
305
|
chain_selection: {
|
|
306
306
|
[key: string]:
|
|
@@ -329,7 +329,8 @@ export namespace LibraryScreenRetrieveResponse {
|
|
|
329
329
|
|
|
330
330
|
/**
|
|
331
331
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
332
|
-
* indices must be present in crop_residues
|
|
332
|
+
* indices must be present in crop_residues and must not overlap
|
|
333
|
+
* non_binding_residues.
|
|
333
334
|
*/
|
|
334
335
|
epitope_residues?: Array<number>;
|
|
335
336
|
|
|
@@ -338,6 +339,12 @@ export namespace LibraryScreenRetrieveResponse {
|
|
|
338
339
|
* regions). All indices must be present in crop_residues.
|
|
339
340
|
*/
|
|
340
341
|
flexible_residues?: Array<number>;
|
|
342
|
+
|
|
343
|
+
/**
|
|
344
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
345
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
346
|
+
*/
|
|
347
|
+
non_binding_residues?: Array<number>;
|
|
341
348
|
}
|
|
342
349
|
|
|
343
350
|
/**
|
|
@@ -401,9 +408,16 @@ export namespace LibraryScreenRetrieveResponse {
|
|
|
401
408
|
/**
|
|
402
409
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
403
410
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
404
|
-
* indices.
|
|
411
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
405
412
|
*/
|
|
406
413
|
epitope_residues?: { [key: string]: Array<number> };
|
|
414
|
+
|
|
415
|
+
/**
|
|
416
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
417
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
418
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
419
|
+
*/
|
|
420
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
407
421
|
}
|
|
408
422
|
|
|
409
423
|
export namespace NoTemplateTargetResponse {
|
|
@@ -1455,7 +1469,7 @@ export namespace LibraryScreenStartResponse {
|
|
|
1455
1469
|
* Chains selected from the uploaded structure, keyed by chain ID. Only chains
|
|
1456
1470
|
* listed here are included in the engine run — any chains omitted from this
|
|
1457
1471
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
1458
|
-
* epitope residues, and which are flexible.
|
|
1472
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
1459
1473
|
*/
|
|
1460
1474
|
chain_selection: {
|
|
1461
1475
|
[key: string]:
|
|
@@ -1484,7 +1498,8 @@ export namespace LibraryScreenStartResponse {
|
|
|
1484
1498
|
|
|
1485
1499
|
/**
|
|
1486
1500
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
1487
|
-
* indices must be present in crop_residues
|
|
1501
|
+
* indices must be present in crop_residues and must not overlap
|
|
1502
|
+
* non_binding_residues.
|
|
1488
1503
|
*/
|
|
1489
1504
|
epitope_residues?: Array<number>;
|
|
1490
1505
|
|
|
@@ -1493,6 +1508,12 @@ export namespace LibraryScreenStartResponse {
|
|
|
1493
1508
|
* regions). All indices must be present in crop_residues.
|
|
1494
1509
|
*/
|
|
1495
1510
|
flexible_residues?: Array<number>;
|
|
1511
|
+
|
|
1512
|
+
/**
|
|
1513
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
1514
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
1515
|
+
*/
|
|
1516
|
+
non_binding_residues?: Array<number>;
|
|
1496
1517
|
}
|
|
1497
1518
|
|
|
1498
1519
|
/**
|
|
@@ -1556,9 +1577,16 @@ export namespace LibraryScreenStartResponse {
|
|
|
1556
1577
|
/**
|
|
1557
1578
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
1558
1579
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
1559
|
-
* indices.
|
|
1580
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
1560
1581
|
*/
|
|
1561
1582
|
epitope_residues?: { [key: string]: Array<number> };
|
|
1583
|
+
|
|
1584
|
+
/**
|
|
1585
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
1586
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
1587
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
1588
|
+
*/
|
|
1589
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
1562
1590
|
}
|
|
1563
1591
|
|
|
1564
1592
|
export namespace NoTemplateTargetResponse {
|
|
@@ -2127,7 +2155,7 @@ export namespace LibraryScreenStopResponse {
|
|
|
2127
2155
|
* Chains selected from the uploaded structure, keyed by chain ID. Only chains
|
|
2128
2156
|
* listed here are included in the engine run — any chains omitted from this
|
|
2129
2157
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
2130
|
-
* epitope residues, and which are flexible.
|
|
2158
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
2131
2159
|
*/
|
|
2132
2160
|
chain_selection: {
|
|
2133
2161
|
[key: string]:
|
|
@@ -2156,7 +2184,8 @@ export namespace LibraryScreenStopResponse {
|
|
|
2156
2184
|
|
|
2157
2185
|
/**
|
|
2158
2186
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
2159
|
-
* indices must be present in crop_residues
|
|
2187
|
+
* indices must be present in crop_residues and must not overlap
|
|
2188
|
+
* non_binding_residues.
|
|
2160
2189
|
*/
|
|
2161
2190
|
epitope_residues?: Array<number>;
|
|
2162
2191
|
|
|
@@ -2165,6 +2194,12 @@ export namespace LibraryScreenStopResponse {
|
|
|
2165
2194
|
* regions). All indices must be present in crop_residues.
|
|
2166
2195
|
*/
|
|
2167
2196
|
flexible_residues?: Array<number>;
|
|
2197
|
+
|
|
2198
|
+
/**
|
|
2199
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
2200
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
2201
|
+
*/
|
|
2202
|
+
non_binding_residues?: Array<number>;
|
|
2168
2203
|
}
|
|
2169
2204
|
|
|
2170
2205
|
/**
|
|
@@ -2228,9 +2263,16 @@ export namespace LibraryScreenStopResponse {
|
|
|
2228
2263
|
/**
|
|
2229
2264
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
2230
2265
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
2231
|
-
* indices.
|
|
2266
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
2232
2267
|
*/
|
|
2233
2268
|
epitope_residues?: { [key: string]: Array<number> };
|
|
2269
|
+
|
|
2270
|
+
/**
|
|
2271
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
2272
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
2273
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
2274
|
+
*/
|
|
2275
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
2234
2276
|
}
|
|
2235
2277
|
|
|
2236
2278
|
export namespace NoTemplateTargetResponse {
|
|
@@ -2955,7 +2997,7 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
2955
2997
|
* Chains selected from the uploaded structure, keyed by chain ID. Only chains
|
|
2956
2998
|
* listed here are included in the engine run — any chains omitted from this
|
|
2957
2999
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
2958
|
-
* epitope residues, and which are flexible.
|
|
3000
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
2959
3001
|
*/
|
|
2960
3002
|
chain_selection: {
|
|
2961
3003
|
[key: string]:
|
|
@@ -2988,7 +3030,8 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
2988
3030
|
|
|
2989
3031
|
/**
|
|
2990
3032
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
2991
|
-
* indices must be present in crop_residues
|
|
3033
|
+
* indices must be present in crop_residues and must not overlap
|
|
3034
|
+
* non_binding_residues.
|
|
2992
3035
|
*/
|
|
2993
3036
|
epitope_residues?: Array<number>;
|
|
2994
3037
|
|
|
@@ -2997,6 +3040,12 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
2997
3040
|
* regions). All indices must be present in crop_residues.
|
|
2998
3041
|
*/
|
|
2999
3042
|
flexible_residues?: Array<number>;
|
|
3043
|
+
|
|
3044
|
+
/**
|
|
3045
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
3046
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
3047
|
+
*/
|
|
3048
|
+
non_binding_residues?: Array<number>;
|
|
3000
3049
|
}
|
|
3001
3050
|
|
|
3002
3051
|
/**
|
|
@@ -3066,9 +3115,16 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
3066
3115
|
/**
|
|
3067
3116
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
3068
3117
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
3069
|
-
* indices.
|
|
3118
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
3070
3119
|
*/
|
|
3071
3120
|
epitope_residues?: { [key: string]: Array<number> };
|
|
3121
|
+
|
|
3122
|
+
/**
|
|
3123
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
3124
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
3125
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
3126
|
+
*/
|
|
3127
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
3072
3128
|
}
|
|
3073
3129
|
|
|
3074
3130
|
export namespace NoTemplateTarget {
|
|
@@ -3749,7 +3805,7 @@ export namespace LibraryScreenStartParams {
|
|
|
3749
3805
|
* Chains selected from the uploaded structure, keyed by chain ID. Only chains
|
|
3750
3806
|
* listed here are included in the engine run — any chains omitted from this
|
|
3751
3807
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
3752
|
-
* epitope residues, and which are flexible.
|
|
3808
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
3753
3809
|
*/
|
|
3754
3810
|
chain_selection: {
|
|
3755
3811
|
[key: string]:
|
|
@@ -3782,7 +3838,8 @@ export namespace LibraryScreenStartParams {
|
|
|
3782
3838
|
|
|
3783
3839
|
/**
|
|
3784
3840
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
3785
|
-
* indices must be present in crop_residues
|
|
3841
|
+
* indices must be present in crop_residues and must not overlap
|
|
3842
|
+
* non_binding_residues.
|
|
3786
3843
|
*/
|
|
3787
3844
|
epitope_residues?: Array<number>;
|
|
3788
3845
|
|
|
@@ -3791,6 +3848,12 @@ export namespace LibraryScreenStartParams {
|
|
|
3791
3848
|
* regions). All indices must be present in crop_residues.
|
|
3792
3849
|
*/
|
|
3793
3850
|
flexible_residues?: Array<number>;
|
|
3851
|
+
|
|
3852
|
+
/**
|
|
3853
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
3854
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
3855
|
+
*/
|
|
3856
|
+
non_binding_residues?: Array<number>;
|
|
3794
3857
|
}
|
|
3795
3858
|
|
|
3796
3859
|
/**
|
|
@@ -3860,9 +3923,16 @@ export namespace LibraryScreenStartParams {
|
|
|
3860
3923
|
/**
|
|
3861
3924
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
3862
3925
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
3863
|
-
* indices.
|
|
3926
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
3864
3927
|
*/
|
|
3865
3928
|
epitope_residues?: { [key: string]: Array<number> };
|
|
3929
|
+
|
|
3930
|
+
/**
|
|
3931
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
3932
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
3933
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
3934
|
+
*/
|
|
3935
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
3866
3936
|
}
|
|
3867
3937
|
|
|
3868
3938
|
export namespace NoTemplateTarget {
|
|
@@ -1127,6 +1127,11 @@ export interface DesignListResultsResponse {
|
|
|
1127
1127
|
*/
|
|
1128
1128
|
smiles: string;
|
|
1129
1129
|
|
|
1130
|
+
/**
|
|
1131
|
+
* Tier 1 ADME summary values for this molecule.
|
|
1132
|
+
*/
|
|
1133
|
+
adme?: DesignListResultsResponse.Adme;
|
|
1134
|
+
|
|
1130
1135
|
/**
|
|
1131
1136
|
* Warnings about potential quality issues with this result.
|
|
1132
1137
|
*/
|
|
@@ -1210,6 +1215,26 @@ export namespace DesignListResultsResponse {
|
|
|
1210
1215
|
structure_confidence: number;
|
|
1211
1216
|
}
|
|
1212
1217
|
|
|
1218
|
+
/**
|
|
1219
|
+
* Tier 1 ADME summary values for this molecule.
|
|
1220
|
+
*/
|
|
1221
|
+
export interface Adme {
|
|
1222
|
+
/**
|
|
1223
|
+
* Lipophilicity score from the internal LogD prediction.
|
|
1224
|
+
*/
|
|
1225
|
+
lipophilicity: number;
|
|
1226
|
+
|
|
1227
|
+
/**
|
|
1228
|
+
* Permeability score for this molecule.
|
|
1229
|
+
*/
|
|
1230
|
+
permeability: number;
|
|
1231
|
+
|
|
1232
|
+
/**
|
|
1233
|
+
* Solubility judgement for this molecule.
|
|
1234
|
+
*/
|
|
1235
|
+
solubility: 'high-confidence' | 'medium-confidence' | 'high-risk';
|
|
1236
|
+
}
|
|
1237
|
+
|
|
1213
1238
|
/**
|
|
1214
1239
|
* A warning about a potential quality issue with a result
|
|
1215
1240
|
*/
|
|
@@ -1161,6 +1161,11 @@ export interface LibraryScreenListResultsResponse {
|
|
|
1161
1161
|
*/
|
|
1162
1162
|
smiles: string;
|
|
1163
1163
|
|
|
1164
|
+
/**
|
|
1165
|
+
* Tier 1 ADME summary values for this molecule.
|
|
1166
|
+
*/
|
|
1167
|
+
adme?: LibraryScreenListResultsResponse.Adme;
|
|
1168
|
+
|
|
1164
1169
|
/**
|
|
1165
1170
|
* Client-provided identifier for this molecule, if provided
|
|
1166
1171
|
*/
|
|
@@ -1249,6 +1254,26 @@ export namespace LibraryScreenListResultsResponse {
|
|
|
1249
1254
|
structure_confidence: number;
|
|
1250
1255
|
}
|
|
1251
1256
|
|
|
1257
|
+
/**
|
|
1258
|
+
* Tier 1 ADME summary values for this molecule.
|
|
1259
|
+
*/
|
|
1260
|
+
export interface Adme {
|
|
1261
|
+
/**
|
|
1262
|
+
* Lipophilicity score from the internal LogD prediction.
|
|
1263
|
+
*/
|
|
1264
|
+
lipophilicity: number;
|
|
1265
|
+
|
|
1266
|
+
/**
|
|
1267
|
+
* Permeability score for this molecule.
|
|
1268
|
+
*/
|
|
1269
|
+
permeability: number;
|
|
1270
|
+
|
|
1271
|
+
/**
|
|
1272
|
+
* Solubility judgement for this molecule.
|
|
1273
|
+
*/
|
|
1274
|
+
solubility: 'high-confidence' | 'medium-confidence' | 'high-risk';
|
|
1275
|
+
}
|
|
1276
|
+
|
|
1252
1277
|
/**
|
|
1253
1278
|
* A warning about a potential quality issue with a result
|
|
1254
1279
|
*/
|
package/src/version.ts
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
export const VERSION = '0.
|
|
1
|
+
export const VERSION = '0.35.2'; // x-release-please-version
|
package/uploads.d.mts
CHANGED
package/uploads.d.mts.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"uploads.d.mts","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":""}
|
|
1
|
+
{"version":3,"file":"uploads.d.mts","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":"AAAA,qDAAqD;AACrD,mCAA+B"}
|
package/uploads.d.ts
CHANGED
package/uploads.d.ts.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"uploads.d.ts","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":""}
|
|
1
|
+
{"version":3,"file":"uploads.d.ts","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":"AAAA,qDAAqD;AACrD,kCAA+B"}
|
package/uploads.mjs
CHANGED
package/uploads.mjs.map
CHANGED
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"uploads.mjs","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":""}
|
|
1
|
+
{"version":3,"file":"uploads.mjs","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":"AAAA,qDAAqD;AACrD,mCAA+B"}
|
package/version.d.mts
CHANGED
|
@@ -1,2 +1,2 @@
|
|
|
1
|
-
export declare const VERSION = "0.
|
|
1
|
+
export declare const VERSION = "0.35.2";
|
|
2
2
|
//# sourceMappingURL=version.d.mts.map
|
package/version.d.ts
CHANGED
|
@@ -1,2 +1,2 @@
|
|
|
1
|
-
export declare const VERSION = "0.
|
|
1
|
+
export declare const VERSION = "0.35.2";
|
|
2
2
|
//# sourceMappingURL=version.d.ts.map
|
package/version.js
CHANGED
package/version.mjs
CHANGED
|
@@ -1,2 +1,2 @@
|
|
|
1
|
-
export const VERSION = '0.
|
|
1
|
+
export const VERSION = '0.35.2'; // x-release-please-version
|
|
2
2
|
//# sourceMappingURL=version.mjs.map
|