boltz-api 0.40.0 → 0.42.0
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/predictions/structure-and-binding.d.mts +100 -88
- package/resources/predictions/structure-and-binding.d.mts.map +1 -1
- package/resources/predictions/structure-and-binding.d.ts +100 -88
- package/resources/predictions/structure-and-binding.d.ts.map +1 -1
- package/resources/protein/design.d.mts +0 -40
- package/resources/protein/design.d.mts.map +1 -1
- package/resources/protein/design.d.ts +0 -40
- package/resources/protein/design.d.ts.map +1 -1
- package/resources/small-molecule/design.d.mts +80 -40
- package/resources/small-molecule/design.d.mts.map +1 -1
- package/resources/small-molecule/design.d.ts +80 -40
- package/resources/small-molecule/design.d.ts.map +1 -1
- package/resources/small-molecule/library-screen.d.mts +80 -0
- package/resources/small-molecule/library-screen.d.mts.map +1 -1
- package/resources/small-molecule/library-screen.d.ts +80 -0
- package/resources/small-molecule/library-screen.d.ts.map +1 -1
- package/src/resources/predictions/structure-and-binding.ts +108 -96
- package/src/resources/protein/design.ts +0 -48
- package/src/resources/small-molecule/design.ts +100 -48
- package/src/resources/small-molecule/library-screen.ts +100 -0
- 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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@@ -191,9 +191,8 @@ export declare namespace StructureAndBindingRetrieveResponse {
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num_samples?: number;
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/**
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* Template structure files to guide protein-chain prediction. Supports up to 4 CIF
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* or PDB templates from HTTPS URLs or base64 uploads. Use
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*
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* multi-chain templates.
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* or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
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* request chains to template-file chains.
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*/
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templates?: Array<Input.Template>;
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}
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@@ -608,34 +607,36 @@ export declare namespace StructureAndBindingRetrieveResponse {
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*/
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interface Template {
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/**
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*
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*
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* Request-to-template chain mappings. Each input_chain_id and template_chain_id
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* must be unique within this template.
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*/
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/**
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* One chain ID, or an ordered list of chain IDs for multi-chain templates. For
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* chain_id, values refer to input chains; for template_id, values refer to chains
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* in the template file.
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*/
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chain_id?: string | Array<string>;
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template_chains: Array<Template.TemplateChain>;
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template_structure: Template.TemplateStructure;
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/**
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* Force the template alignment within threshold.
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*/
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force?: boolean;
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/**
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* One chain ID, or an ordered list of chain IDs for multi-chain templates. For
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* chain_id, values refer to input chains; for template_id, values refer to chains
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* in the template file.
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*/
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template_id?: string | Array<string>;
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/**
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* Distance threshold in angstroms used when force is true.
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*/
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threshold?: number;
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}
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namespace Template {
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-
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/**
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* Mapping from one request chain to the corresponding chain in the template
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* structure file.
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*/
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interface TemplateChain {
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/**
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* Chain ID in this prediction request
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*/
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input_chain_id: string;
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/**
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* Corresponding chain ID in the template structure file
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*/
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template_chain_id: string;
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}
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interface TemplateStructure {
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/**
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* URL to download the file
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*/
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@@ -1003,9 +1004,8 @@ export declare namespace StructureAndBindingStartResponse {
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num_samples?: number;
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/**
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* Template structure files to guide protein-chain prediction. Supports up to 4 CIF
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* or PDB templates from HTTPS URLs or base64 uploads. Use
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*
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* multi-chain templates.
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* or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
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* request chains to template-file chains.
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*/
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templates?: Array<Input.Template>;
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}
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*/
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interface Template {
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/**
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*
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*
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* Request-to-template chain mappings. Each input_chain_id and template_chain_id
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* must be unique within this template.
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*/
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/**
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* One chain ID, or an ordered list of chain IDs for multi-chain templates. For
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* chain_id, values refer to input chains; for template_id, values refer to chains
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* in the template file.
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*/
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chain_id?: string | Array<string>;
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template_chains: Array<Template.TemplateChain>;
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template_structure: Template.TemplateStructure;
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/**
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* Force the template alignment within threshold.
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*/
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force?: boolean;
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/**
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* One chain ID, or an ordered list of chain IDs for multi-chain templates. For
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* chain_id, values refer to input chains; for template_id, values refer to chains
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* in the template file.
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*/
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template_id?: string | Array<string>;
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/**
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* Distance threshold in angstroms used when force is true.
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*/
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threshold?: number;
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}
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namespace Template {
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-
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/**
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* Mapping from one request chain to the corresponding chain in the template
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* structure file.
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*/
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interface TemplateChain {
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/**
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* Chain ID in this prediction request
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*/
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input_chain_id: string;
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/**
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* Corresponding chain ID in the template structure file
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*/
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template_chain_id: string;
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}
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interface TemplateStructure {
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/**
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* URL to download the file
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*/
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@@ -1666,9 +1668,8 @@ export declare namespace StructureAndBindingEstimateCostParams {
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num_samples?: number;
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/**
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* Template structure files to guide protein-chain prediction. Supports up to 4 CIF
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* or PDB templates from HTTPS URLs or base64 uploads. Use
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*
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* multi-chain templates.
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* or PDB templates from HTTPS URLs or base64 uploads. Use template_chains to map
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* request chains to template-file chains.
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*/
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templates?: Array<Input.Template>;
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}
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*/
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interface Template {
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/**
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*
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* Request-to-template chain mappings. Each input_chain_id and template_chain_id
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* must be unique within this template.
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*/
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template_chains: Array<Template.TemplateChain>;
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/**
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* How to provide a file to
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* How to provide a template structure file. URLs must point to a CIF or PDB file;
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* base64 uploads must use chemical/x-cif or chemical/x-pdb.
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*/
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/**
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* One chain ID, or an ordered list of chain IDs for multi-chain templates. For
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*/
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chain_id?: string | Array<string>;
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template_structure: Template.URLSource | Template.TemplateStructureBase64Source;
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/**
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* Force the template alignment within threshold.
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*/
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force?: boolean;
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* One chain ID, or an ordered list of chain IDs for multi-chain templates. For
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/**
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}
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namespace Template {
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*/
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interface TemplateChain {
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*/
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input_chain_id: string;
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}
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interface URLSource {
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type: 'url';
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}
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interface
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interface TemplateStructureBase64Source {
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data: string;
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}
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/**
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interface URLSource {
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interface TemplateStructureBase64Source {
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1
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|
|
@@ -1194,16 +1194,6 @@ export declare namespace DesignRetrieveResponse {
|
|
|
1194
1194
|
* ID of the most recently generated result
|
|
1195
1195
|
*/
|
|
1196
1196
|
latest_result_id?: string;
|
|
1197
|
-
/**
|
|
1198
|
-
* Cumulative number of designs produced by the model before filtering and
|
|
1199
|
-
* deduplication. Useful for monitoring generation efficiency.
|
|
1200
|
-
*/
|
|
1201
|
-
total_proteins_generated_pre_filter?: number;
|
|
1202
|
-
/**
|
|
1203
|
-
* Cumulative number of designs that survived filtering and deduplication and
|
|
1204
|
-
* became scoreable samples.
|
|
1205
|
-
*/
|
|
1206
|
-
total_proteins_inserted?: number;
|
|
1207
1197
|
}
|
|
1208
1198
|
}
|
|
1209
1199
|
/**
|
|
@@ -1275,16 +1265,6 @@ export declare namespace DesignListResponse {
|
|
|
1275
1265
|
* ID of the most recently generated result
|
|
1276
1266
|
*/
|
|
1277
1267
|
latest_result_id?: string;
|
|
1278
|
-
/**
|
|
1279
|
-
* Cumulative number of designs produced by the model before filtering and
|
|
1280
|
-
* deduplication. Useful for monitoring generation efficiency.
|
|
1281
|
-
*/
|
|
1282
|
-
total_proteins_generated_pre_filter?: number;
|
|
1283
|
-
/**
|
|
1284
|
-
* Cumulative number of designs that survived filtering and deduplication and
|
|
1285
|
-
* became scoreable samples.
|
|
1286
|
-
*/
|
|
1287
|
-
total_proteins_inserted?: number;
|
|
1288
1268
|
}
|
|
1289
1269
|
}
|
|
1290
1270
|
export interface DesignDeleteDataResponse {
|
|
@@ -2637,16 +2617,6 @@ export declare namespace DesignStartResponse {
|
|
|
2637
2617
|
* ID of the most recently generated result
|
|
2638
2618
|
*/
|
|
2639
2619
|
latest_result_id?: string;
|
|
2640
|
-
/**
|
|
2641
|
-
* Cumulative number of designs produced by the model before filtering and
|
|
2642
|
-
* deduplication. Useful for monitoring generation efficiency.
|
|
2643
|
-
*/
|
|
2644
|
-
total_proteins_generated_pre_filter?: number;
|
|
2645
|
-
/**
|
|
2646
|
-
* Cumulative number of designs that survived filtering and deduplication and
|
|
2647
|
-
* became scoreable samples.
|
|
2648
|
-
*/
|
|
2649
|
-
total_proteins_inserted?: number;
|
|
2650
2620
|
}
|
|
2651
2621
|
}
|
|
2652
2622
|
/**
|
|
@@ -3708,16 +3678,6 @@ export declare namespace DesignStopResponse {
|
|
|
3708
3678
|
* ID of the most recently generated result
|
|
3709
3679
|
*/
|
|
3710
3680
|
latest_result_id?: string;
|
|
3711
|
-
/**
|
|
3712
|
-
* Cumulative number of designs produced by the model before filtering and
|
|
3713
|
-
* deduplication. Useful for monitoring generation efficiency.
|
|
3714
|
-
*/
|
|
3715
|
-
total_proteins_generated_pre_filter?: number;
|
|
3716
|
-
/**
|
|
3717
|
-
* Cumulative number of designs that survived filtering and deduplication and
|
|
3718
|
-
* became scoreable samples.
|
|
3719
|
-
*/
|
|
3720
|
-
total_proteins_inserted?: number;
|
|
3721
3681
|
}
|
|
3722
3682
|
}
|
|
3723
3683
|
export interface DesignRetrieveParams {
|