boltz-api 0.30.3

package/resources/small-molecule/library-screen.d.ts.map

@@ -0,0 +1 @@
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package/resources/small-molecule/library-screen.js

@@ -0,0 +1,129 @@
+"use strict";
+// File generated from our OpenAPI spec by Stainless. See CONTRIBUTING.md for details.
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.LibraryScreen = void 0;
+const resource_1 = require("../../core/resource.js");
+const pagination_1 = require("../../core/pagination.js");
+const path_1 = require("../../internal/utils/path.js");
+/**
+ * Screen an existing library of small molecules against a protein target. Results are scored by binding confidence (likelihood of binding, for hit discovery), optimization score (binding strength ranking, for lead optimization), and structure confidence.
+ */
+class LibraryScreen extends resource_1.APIResource {
+    /**
+     * Retrieve a library screen by ID, including progress and status
+     *
+     * @example
+     * ```ts
+     * const libraryScreen =
+     *   await client.smallMolecule.libraryScreen.retrieve('id');
+     * ```
+     */
+    retrieve(id, query = {}, options) {
+        return this._client.get((0, path_1.path) `/compute/v1/small-molecule/library-screen/${id}`, { query, ...options });
+    }
+    /**
+     * List small molecule library screens, optionally filtered by workspace
+     *
+     * @example
+     * ```ts
+     * // Automatically fetches more pages as needed.
+     * for await (const libraryScreenListResponse of client.smallMolecule.libraryScreen.list()) {
+     *   // ...
+     * }
+     * ```
+     */
+    list(query = {}, options) {
+        return this._client.getAPIList('/compute/v1/small-molecule/library-screen', (pagination_1.CursorPage), { query, ...options });
+    }
+    /**
+     * Permanently delete the input, output, and result data associated with this
+     * library screen. The library screen record itself is retained with a
+     * `data_deleted_at` timestamp. This action is irreversible.
+     *
+     * @example
+     * ```ts
+     * const response =
+     *   await client.smallMolecule.libraryScreen.deleteData('id');
+     * ```
+     */
+    deleteData(id, options) {
+        return this._client.post((0, path_1.path) `/compute/v1/small-molecule/library-screen/${id}/delete-data`, options);
+    }
+    /**
+     * Estimate the cost of a small molecule library screen without creating any
+     * resource or consuming GPU.
+     *
+     * @example
+     * ```ts
+     * const response =
+     *   await client.smallMolecule.libraryScreen.estimateCost({
+     *     molecules: [{ smiles: 'smiles' }],
+     *     target: {
+     *       entities: [
+     *         {
+     *           chain_ids: ['string'],
+     *           type: 'protein',
+     *           value: 'value',
+     *         },
+     *       ],
+     *     },
+     *   });
+     * ```
+     */
+    estimateCost(body, options) {
+        return this._client.post('/compute/v1/small-molecule/library-screen/estimate-cost', { body, ...options });
+    }
+    /**
+     * Retrieve paginated results from a library screen
+     *
+     * @example
+     * ```ts
+     * // Automatically fetches more pages as needed.
+     * for await (const libraryScreenListResultsResponse of client.smallMolecule.libraryScreen.listResults(
+     *   'id',
+     * )) {
+     *   // ...
+     * }
+     * ```
+     */
+    listResults(id, query = {}, options) {
+        return this._client.getAPIList((0, path_1.path) `/compute/v1/small-molecule/library-screen/${id}/results`, (pagination_1.CursorPage), { query, ...options });
+    }
+    /**
+     * Screen a set of small molecule candidates against a protein target
+     *
+     * @example
+     * ```ts
+     * const response =
+     *   await client.smallMolecule.libraryScreen.start({
+     *     molecules: [{ smiles: 'smiles' }],
+     *     target: {
+     *       entities: [
+     *         {
+     *           chain_ids: ['string'],
+     *           type: 'protein',
+     *           value: 'value',
+     *         },
+     *       ],
+     *     },
+     *   });
+     * ```
+     */
+    start(body, options) {
+        return this._client.post('/compute/v1/small-molecule/library-screen', { body, ...options });
+    }
+    /**
+     * Stop an in-progress library screen early
+     *
+     * @example
+     * ```ts
+     * const response =
+     *   await client.smallMolecule.libraryScreen.stop('id');
+     * ```
+     */
+    stop(id, options) {
+        return this._client.post((0, path_1.path) `/compute/v1/small-molecule/library-screen/${id}/stop`, options);
+    }
+}
+exports.LibraryScreen = LibraryScreen;
+//# sourceMappingURL=library-screen.js.map

package/resources/small-molecule/library-screen.js.map

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package/resources/small-molecule/library-screen.mjs

@@ -0,0 +1,125 @@
+// File generated from our OpenAPI spec by Stainless. See CONTRIBUTING.md for details.
+import { APIResource } from "../../core/resource.mjs";
+import { CursorPage } from "../../core/pagination.mjs";
+import { path } from "../../internal/utils/path.mjs";
+/**
+ * Screen an existing library of small molecules against a protein target. Results are scored by binding confidence (likelihood of binding, for hit discovery), optimization score (binding strength ranking, for lead optimization), and structure confidence.
+ */
+export class LibraryScreen extends APIResource {
+    /**
+     * Retrieve a library screen by ID, including progress and status
+     *
+     * @example
+     * ```ts
+     * const libraryScreen =
+     *   await client.smallMolecule.libraryScreen.retrieve('id');
+     * ```
+     */
+    retrieve(id, query = {}, options) {
+        return this._client.get(path `/compute/v1/small-molecule/library-screen/${id}`, { query, ...options });
+    }
+    /**
+     * List small molecule library screens, optionally filtered by workspace
+     *
+     * @example
+     * ```ts
+     * // Automatically fetches more pages as needed.
+     * for await (const libraryScreenListResponse of client.smallMolecule.libraryScreen.list()) {
+     *   // ...
+     * }
+     * ```
+     */
+    list(query = {}, options) {
+        return this._client.getAPIList('/compute/v1/small-molecule/library-screen', (CursorPage), { query, ...options });
+    }
+    /**
+     * Permanently delete the input, output, and result data associated with this
+     * library screen. The library screen record itself is retained with a
+     * `data_deleted_at` timestamp. This action is irreversible.
+     *
+     * @example
+     * ```ts
+     * const response =
+     *   await client.smallMolecule.libraryScreen.deleteData('id');
+     * ```
+     */
+    deleteData(id, options) {
+        return this._client.post(path `/compute/v1/small-molecule/library-screen/${id}/delete-data`, options);
+    }
+    /**
+     * Estimate the cost of a small molecule library screen without creating any
+     * resource or consuming GPU.
+     *
+     * @example
+     * ```ts
+     * const response =
+     *   await client.smallMolecule.libraryScreen.estimateCost({
+     *     molecules: [{ smiles: 'smiles' }],
+     *     target: {
+     *       entities: [
+     *         {
+     *           chain_ids: ['string'],
+     *           type: 'protein',
+     *           value: 'value',
+     *         },
+     *       ],
+     *     },
+     *   });
+     * ```
+     */
+    estimateCost(body, options) {
+        return this._client.post('/compute/v1/small-molecule/library-screen/estimate-cost', { body, ...options });
+    }
+    /**
+     * Retrieve paginated results from a library screen
+     *
+     * @example
+     * ```ts
+     * // Automatically fetches more pages as needed.
+     * for await (const libraryScreenListResultsResponse of client.smallMolecule.libraryScreen.listResults(
+     *   'id',
+     * )) {
+     *   // ...
+     * }
+     * ```
+     */
+    listResults(id, query = {}, options) {
+        return this._client.getAPIList(path `/compute/v1/small-molecule/library-screen/${id}/results`, (CursorPage), { query, ...options });
+    }
+    /**
+     * Screen a set of small molecule candidates against a protein target
+     *
+     * @example
+     * ```ts
+     * const response =
+     *   await client.smallMolecule.libraryScreen.start({
+     *     molecules: [{ smiles: 'smiles' }],
+     *     target: {
+     *       entities: [
+     *         {
+     *           chain_ids: ['string'],
+     *           type: 'protein',
+     *           value: 'value',
+     *         },
+     *       ],
+     *     },
+     *   });
+     * ```
+     */
+    start(body, options) {
+        return this._client.post('/compute/v1/small-molecule/library-screen', { body, ...options });
+    }
+    /**
+     * Stop an in-progress library screen early
+     *
+     * @example
+     * ```ts
+     * const response =
+     *   await client.smallMolecule.libraryScreen.stop('id');
+     * ```
+     */
+    stop(id, options) {
+        return this._client.post(path `/compute/v1/small-molecule/library-screen/${id}/stop`, options);
+    }
+}
+//# sourceMappingURL=library-screen.mjs.map

package/resources/small-molecule/library-screen.mjs.map

@@ -0,0 +1 @@
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package/resources/small-molecule/small-molecule.d.mts

@@ -0,0 +1,17 @@
+import { APIResource } from "../../core/resource.mjs";
+import * as DesignAPI from "./design.mjs";
+import { Design, DesignDeleteDataResponse, DesignEstimateCostParams, DesignEstimateCostResponse, DesignListParams, DesignListResponse, DesignListResponsesCursorPage, DesignListResultsParams, DesignListResultsResponse, DesignListResultsResponsesCursorPage, DesignRetrieveParams, DesignRetrieveResponse, DesignStartParams, DesignStartResponse, DesignStopResponse } from "./design.mjs";
+import * as LibraryScreenAPI from "./library-screen.mjs";
+import { LibraryScreen, LibraryScreenDeleteDataResponse, LibraryScreenEstimateCostParams, LibraryScreenEstimateCostResponse, LibraryScreenListParams, LibraryScreenListResponse, LibraryScreenListResponsesCursorPage, LibraryScreenListResultsParams, LibraryScreenListResultsResponse, LibraryScreenListResultsResponsesCursorPage, LibraryScreenRetrieveParams, LibraryScreenRetrieveResponse, LibraryScreenStartParams, LibraryScreenStartResponse, LibraryScreenStopResponse } from "./library-screen.mjs";
+/**
+ * Small Molecule Engine — design novel small molecules and screen compound libraries against protein targets. Includes de novo generation and virtual screening.
+ */
+export declare class SmallMolecule extends APIResource {
+    design: DesignAPI.Design;
+    libraryScreen: LibraryScreenAPI.LibraryScreen;
+}
+export declare namespace SmallMolecule {
+    export { Design as Design, type DesignRetrieveResponse as DesignRetrieveResponse, type DesignListResponse as DesignListResponse, type DesignDeleteDataResponse as DesignDeleteDataResponse, type DesignEstimateCostResponse as DesignEstimateCostResponse, type DesignListResultsResponse as DesignListResultsResponse, type DesignStartResponse as DesignStartResponse, type DesignStopResponse as DesignStopResponse, type DesignListResponsesCursorPage as DesignListResponsesCursorPage, type DesignListResultsResponsesCursorPage as DesignListResultsResponsesCursorPage, type DesignRetrieveParams as DesignRetrieveParams, type DesignListParams as DesignListParams, type DesignEstimateCostParams as DesignEstimateCostParams, type DesignListResultsParams as DesignListResultsParams, type DesignStartParams as DesignStartParams, };
+    export { LibraryScreen as LibraryScreen, type LibraryScreenRetrieveResponse as LibraryScreenRetrieveResponse, type LibraryScreenListResponse as LibraryScreenListResponse, type LibraryScreenDeleteDataResponse as LibraryScreenDeleteDataResponse, type LibraryScreenEstimateCostResponse as LibraryScreenEstimateCostResponse, type LibraryScreenListResultsResponse as LibraryScreenListResultsResponse, type LibraryScreenStartResponse as LibraryScreenStartResponse, type LibraryScreenStopResponse as LibraryScreenStopResponse, type LibraryScreenListResponsesCursorPage as LibraryScreenListResponsesCursorPage, type LibraryScreenListResultsResponsesCursorPage as LibraryScreenListResultsResponsesCursorPage, type LibraryScreenRetrieveParams as LibraryScreenRetrieveParams, type LibraryScreenListParams as LibraryScreenListParams, type LibraryScreenEstimateCostParams as LibraryScreenEstimateCostParams, type LibraryScreenListResultsParams as LibraryScreenListResultsParams, type LibraryScreenStartParams as LibraryScreenStartParams, };
+}
+//# sourceMappingURL=small-molecule.d.mts.map

package/resources/small-molecule/small-molecule.d.mts.map

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package/resources/small-molecule/small-molecule.d.ts

@@ -0,0 +1,17 @@
+import { APIResource } from "../../core/resource.js";
+import * as DesignAPI from "./design.js";
+import { Design, DesignDeleteDataResponse, DesignEstimateCostParams, DesignEstimateCostResponse, DesignListParams, DesignListResponse, DesignListResponsesCursorPage, DesignListResultsParams, DesignListResultsResponse, DesignListResultsResponsesCursorPage, DesignRetrieveParams, DesignRetrieveResponse, DesignStartParams, DesignStartResponse, DesignStopResponse } from "./design.js";
+import * as LibraryScreenAPI from "./library-screen.js";
+import { LibraryScreen, LibraryScreenDeleteDataResponse, LibraryScreenEstimateCostParams, LibraryScreenEstimateCostResponse, LibraryScreenListParams, LibraryScreenListResponse, LibraryScreenListResponsesCursorPage, LibraryScreenListResultsParams, LibraryScreenListResultsResponse, LibraryScreenListResultsResponsesCursorPage, LibraryScreenRetrieveParams, LibraryScreenRetrieveResponse, LibraryScreenStartParams, LibraryScreenStartResponse, LibraryScreenStopResponse } from "./library-screen.js";
+/**
+ * Small Molecule Engine — design novel small molecules and screen compound libraries against protein targets. Includes de novo generation and virtual screening.
+ */
+export declare class SmallMolecule extends APIResource {
+    design: DesignAPI.Design;
+    libraryScreen: LibraryScreenAPI.LibraryScreen;
+}
+export declare namespace SmallMolecule {
+    export { Design as Design, type DesignRetrieveResponse as DesignRetrieveResponse, type DesignListResponse as DesignListResponse, type DesignDeleteDataResponse as DesignDeleteDataResponse, type DesignEstimateCostResponse as DesignEstimateCostResponse, type DesignListResultsResponse as DesignListResultsResponse, type DesignStartResponse as DesignStartResponse, type DesignStopResponse as DesignStopResponse, type DesignListResponsesCursorPage as DesignListResponsesCursorPage, type DesignListResultsResponsesCursorPage as DesignListResultsResponsesCursorPage, type DesignRetrieveParams as DesignRetrieveParams, type DesignListParams as DesignListParams, type DesignEstimateCostParams as DesignEstimateCostParams, type DesignListResultsParams as DesignListResultsParams, type DesignStartParams as DesignStartParams, };
+    export { LibraryScreen as LibraryScreen, type LibraryScreenRetrieveResponse as LibraryScreenRetrieveResponse, type LibraryScreenListResponse as LibraryScreenListResponse, type LibraryScreenDeleteDataResponse as LibraryScreenDeleteDataResponse, type LibraryScreenEstimateCostResponse as LibraryScreenEstimateCostResponse, type LibraryScreenListResultsResponse as LibraryScreenListResultsResponse, type LibraryScreenStartResponse as LibraryScreenStartResponse, type LibraryScreenStopResponse as LibraryScreenStopResponse, type LibraryScreenListResponsesCursorPage as LibraryScreenListResponsesCursorPage, type LibraryScreenListResultsResponsesCursorPage as LibraryScreenListResultsResponsesCursorPage, type LibraryScreenRetrieveParams as LibraryScreenRetrieveParams, type LibraryScreenListParams as LibraryScreenListParams, type LibraryScreenEstimateCostParams as LibraryScreenEstimateCostParams, type LibraryScreenListResultsParams as LibraryScreenListResultsParams, type LibraryScreenStartParams as LibraryScreenStartParams, };
+}
+//# sourceMappingURL=small-molecule.d.ts.map

package/resources/small-molecule/small-molecule.d.ts.map

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package/resources/small-molecule/small-molecule.js

@@ -0,0 +1,24 @@
+"use strict";
+// File generated from our OpenAPI spec by Stainless. See CONTRIBUTING.md for details.
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.SmallMolecule = void 0;
+const tslib_1 = require("../../internal/tslib.js");
+const resource_1 = require("../../core/resource.js");
+const DesignAPI = tslib_1.__importStar(require("./design.js"));
+const design_1 = require("./design.js");
+const LibraryScreenAPI = tslib_1.__importStar(require("./library-screen.js"));
+const library_screen_1 = require("./library-screen.js");
+/**
+ * Small Molecule Engine — design novel small molecules and screen compound libraries against protein targets. Includes de novo generation and virtual screening.
+ */
+class SmallMolecule extends resource_1.APIResource {
+    constructor() {
+        super(...arguments);
+        this.design = new DesignAPI.Design(this._client);
+        this.libraryScreen = new LibraryScreenAPI.LibraryScreen(this._client);
+    }
+}
+exports.SmallMolecule = SmallMolecule;
+SmallMolecule.Design = design_1.Design;
+SmallMolecule.LibraryScreen = library_screen_1.LibraryScreen;
+//# sourceMappingURL=small-molecule.js.map

package/resources/small-molecule/small-molecule.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"small-molecule.js","sourceRoot":"","sources":["../../src/resources/small-molecule/small-molecule.ts"],"names":[],"mappings":";AAAA,sFAAsF;;;;AAEtF,qDAAkD;AAClD,+DAAsC;AACtC,wCAgBkB;AAClB,8EAAqD;AACrD,wDAgB0B;AAE1B;;GAEG;AACH,MAAa,aAAc,SAAQ,sBAAW;IAA9C;;QACE,WAAM,GAAqB,IAAI,SAAS,CAAC,MAAM,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;QAC9D,kBAAa,GAAmC,IAAI,gBAAgB,CAAC,aAAa,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;IACnG,CAAC;CAAA;AAHD,sCAGC;AAED,aAAa,CAAC,MAAM,GAAG,eAAM,CAAC;AAC9B,aAAa,CAAC,aAAa,GAAG,8BAAa,CAAC"}

package/resources/small-molecule/small-molecule.mjs

@@ -0,0 +1,19 @@
+// File generated from our OpenAPI spec by Stainless. See CONTRIBUTING.md for details.
+import { APIResource } from "../../core/resource.mjs";
+import * as DesignAPI from "./design.mjs";
+import { Design, } from "./design.mjs";
+import * as LibraryScreenAPI from "./library-screen.mjs";
+import { LibraryScreen, } from "./library-screen.mjs";
+/**
+ * Small Molecule Engine — design novel small molecules and screen compound libraries against protein targets. Includes de novo generation and virtual screening.
+ */
+export class SmallMolecule extends APIResource {
+    constructor() {
+        super(...arguments);
+        this.design = new DesignAPI.Design(this._client);
+        this.libraryScreen = new LibraryScreenAPI.LibraryScreen(this._client);
+    }
+}
+SmallMolecule.Design = Design;
+SmallMolecule.LibraryScreen = LibraryScreen;
+//# sourceMappingURL=small-molecule.mjs.map

package/resources/small-molecule/small-molecule.mjs.map

@@ -0,0 +1 @@
+{"version":3,"file":"small-molecule.mjs","sourceRoot":"","sources":["../../src/resources/small-molecule/small-molecule.ts"],"names":[],"mappings":"AAAA,sFAAsF;OAE/E,EAAE,WAAW,EAAE;OACf,KAAK,SAAS;OACd,EACL,MAAM,GAeP;OACM,KAAK,gBAAgB;OACrB,EACL,aAAa,GAed;AAED;;GAEG;AACH,MAAM,OAAO,aAAc,SAAQ,WAAW;IAA9C;;QACE,WAAM,GAAqB,IAAI,SAAS,CAAC,MAAM,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;QAC9D,kBAAa,GAAmC,IAAI,gBAAgB,CAAC,aAAa,CAAC,IAAI,CAAC,OAAO,CAAC,CAAC;IACnG,CAAC;CAAA;AAED,aAAa,CAAC,MAAM,GAAG,MAAM,CAAC;AAC9B,aAAa,CAAC,aAAa,GAAG,aAAa,CAAC"}

package/resources/small-molecule.d.mts

@@ -0,0 +1,2 @@
+export * from "./small-molecule/index.mjs";
+//# sourceMappingURL=small-molecule.d.mts.map

package/resources/small-molecule.d.mts.map

@@ -0,0 +1 @@
+{"version":3,"file":"small-molecule.d.mts","sourceRoot":"","sources":["../src/resources/small-molecule.ts"],"names":[],"mappings":""}

package/resources/small-molecule.d.ts

@@ -0,0 +1,2 @@
+export * from "./small-molecule/index.js";
+//# sourceMappingURL=small-molecule.d.ts.map

package/resources/small-molecule.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"small-molecule.d.ts","sourceRoot":"","sources":["../src/resources/small-molecule.ts"],"names":[],"mappings":""}

package/resources/small-molecule.js

@@ -0,0 +1,6 @@
+"use strict";
+// File generated from our OpenAPI spec by Stainless. See CONTRIBUTING.md for details.
+Object.defineProperty(exports, "__esModule", { value: true });
+const tslib_1 = require("../internal/tslib.js");
+tslib_1.__exportStar(require("./small-molecule/index.js"), exports);
+//# sourceMappingURL=small-molecule.js.map

package/resources/small-molecule.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"small-molecule.js","sourceRoot":"","sources":["../src/resources/small-molecule.ts"],"names":[],"mappings":";AAAA,sFAAsF;;;AAEtF,oEAAuC"}

package/resources/small-molecule.mjs

@@ -0,0 +1,3 @@
+// File generated from our OpenAPI spec by Stainless. See CONTRIBUTING.md for details.
+export * from "./small-molecule/index.mjs";
+//# sourceMappingURL=small-molecule.mjs.map

package/resources/small-molecule.mjs.map

@@ -0,0 +1 @@
+{"version":3,"file":"small-molecule.mjs","sourceRoot":"","sources":["../src/resources/small-molecule.ts"],"names":[],"mappings":"AAAA,sFAAsF"}

package/resources.d.mts

@@ -0,0 +1,2 @@
+export * from "./resources/index.mjs";
+//# sourceMappingURL=resources.d.mts.map

package/resources.d.mts.map

@@ -0,0 +1 @@
+{"version":3,"file":"resources.d.mts","sourceRoot":"","sources":["src/resources.ts"],"names":[],"mappings":""}

package/resources.d.ts

@@ -0,0 +1,2 @@
+export * from "./resources/index.js";
+//# sourceMappingURL=resources.d.ts.map

package/resources.d.ts.map

@@ -0,0 +1 @@
+{"version":3,"file":"resources.d.ts","sourceRoot":"","sources":["src/resources.ts"],"names":[],"mappings":""}

package/resources.js

@@ -0,0 +1,5 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+const tslib_1 = require("./internal/tslib.js");
+tslib_1.__exportStar(require("./resources/index.js"), exports);
+//# sourceMappingURL=resources.js.map

package/resources.js.map

@@ -0,0 +1 @@
+{"version":3,"file":"resources.js","sourceRoot":"","sources":["src/resources.ts"],"names":[],"mappings":";;;AAAA,+DAAkC"}

package/resources.mjs

@@ -0,0 +1,2 @@
+export * from "./resources/index.mjs";
+//# sourceMappingURL=resources.mjs.map

package/resources.mjs.map

@@ -0,0 +1 @@
+{"version":3,"file":"resources.mjs","sourceRoot":"","sources":["src/resources.ts"],"names":[],"mappings":""}

package/src/api-promise.ts

@@ -0,0 +1,2 @@
+/** @deprecated Import from ./core/api-promise instead */
+export * from './core/api-promise';