boltz-api 0.30.4 → 0.35.3

package/resources/predictions/adme.d.ts

@@ -0,0 +1,539 @@
+import { APIResource } from "../../core/resource.js";
+import { APIPromise } from "../../core/api-promise.js";
+import { CursorPage, type CursorPageParams, PagePromise } from "../../core/pagination.js";
+import { RequestOptions } from "../../internal/request-options.js";
+/**
+ * Predict Tier 1 ADME summary values for a batch of small molecules specified by SMILES.
+ */
+export declare class Adme extends APIResource {
+    /**
+     * Retrieve an ADME prediction by ID, including its status and results.
+     *
+     * @example
+     * ```ts
+     * const adme = await client.predictions.adme.retrieve('id');
+     * ```
+     */
+    retrieve(id: string, query?: AdmeRetrieveParams | null | undefined, options?: RequestOptions): APIPromise<AdmeRetrieveResponse>;
+    /**
+     * List ADME predictions, optionally filtered by workspace
+     *
+     * @example
+     * ```ts
+     * // Automatically fetches more pages as needed.
+     * for await (const admeListResponse of client.predictions.adme.list()) {
+     *   // ...
+     * }
+     * ```
+     */
+    list(query?: AdmeListParams | null | undefined, options?: RequestOptions): PagePromise<AdmeListResponsesCursorPage, AdmeListResponse>;
+    /**
+     * Permanently delete the input, output, and result data associated with this
+     * prediction. The prediction record itself is retained with a `data_deleted_at`
+     * timestamp. This action is irreversible.
+     *
+     * @example
+     * ```ts
+     * const response = await client.predictions.adme.deleteData(
+     *   'id',
+     * );
+     * ```
+     */
+    deleteData(id: string, options?: RequestOptions): APIPromise<AdmeDeleteDataResponse>;
+    /**
+     * Submit a prediction job that returns Tier 1 ADME summary values for each
+     * requested molecule.
+     *
+     * @example
+     * ```ts
+     * const response = await client.predictions.adme.start({
+     *   input: { molecules: [{ smiles: 'x' }] },
+     *   model: 'adme-v1',
+     * });
+     * ```
+     */
+    start(body: AdmeStartParams, options?: RequestOptions): APIPromise<AdmeStartResponse>;
+}
+export type AdmeListResponsesCursorPage = CursorPage<AdmeListResponse>;
+export interface AdmeRetrieveResponse {
+    /**
+     * Unique prediction identifier
+     */
+    id: string;
+    completed_at: string | null;
+    created_at: string;
+    /**
+     * When the input/output data was deleted, or null if still available
+     */
+    data_deleted_at: string | null;
+    /**
+     * Error details when failed
+     */
+    error: AdmeRetrieveResponse.Error | null;
+    /**
+     * When this resource and its associated data will be permanently deleted. Null
+     * while still in progress.
+     */
+    expires_at: string | null;
+    /**
+     * Prediction input (null if data deleted)
+     */
+    input: AdmeRetrieveResponse.Input | null;
+    /**
+     * Whether this resource was created with a live API key.
+     */
+    livemode: boolean;
+    /**
+     * Model used for prediction
+     */
+    model: 'adme-v1';
+    /**
+     * Prediction output when succeeded
+     */
+    output: AdmeRetrieveResponse.Output | null;
+    started_at: string | null;
+    status: 'pending' | 'running' | 'succeeded' | 'failed';
+    /**
+     * Model version used for prediction
+     */
+    version: string;
+    /**
+     * Workspace ID
+     */
+    workspace_id: string;
+    /**
+     * Client-provided idempotency key
+     */
+    idempotency_key?: string;
+}
+export declare namespace AdmeRetrieveResponse {
+    /**
+     * Error details when failed
+     */
+    interface Error {
+        /**
+         * Machine-readable error code
+         */
+        code: string;
+        /**
+         * Human-readable error message
+         */
+        message: string;
+        /**
+         * Additional field-level error details keyed by input path, when available.
+         */
+        details?: unknown;
+    }
+    /**
+     * Prediction input (null if data deleted)
+     */
+    interface Input {
+        /**
+         * Molecules to score. Results are returned in the same order as this list.
+         */
+        molecules: Array<Input.Molecule>;
+    }
+    namespace Input {
+        interface Molecule {
+            /**
+             * SMILES string of the molecule to predict ADME properties for.
+             */
+            smiles: string;
+            /**
+             * Optional client-provided identifier. Returned as `external_id` in the matching
+             * output item.
+             */
+            id?: string;
+        }
+    }
+    /**
+     * Prediction output when succeeded
+     */
+    interface Output {
+        /**
+         * Per-molecule results in the same order as the request. Successful molecules
+         * carry an `adme` summary. Failed molecules carry `status: "failed"` and a
+         * non-null `error`.
+         */
+        molecules: Array<Output.AdmeMoleculeSucceeded | Output.AdmeMoleculeFailed>;
+    }
+    namespace Output {
+        interface AdmeMoleculeSucceeded {
+            /**
+             * Internally generated molecule identifier.
+             */
+            id: string;
+            /**
+             * Tier 1 ADME summary values for this molecule.
+             */
+            adme: AdmeMoleculeSucceeded.Adme;
+            error: null;
+            /**
+             * Echoed SMILES from the request.
+             */
+            smiles: string;
+            status: 'succeeded';
+            /**
+             * Client-provided molecule identifier, if one was supplied.
+             */
+            external_id?: string;
+        }
+        namespace AdmeMoleculeSucceeded {
+            /**
+             * Tier 1 ADME summary values for this molecule.
+             */
+            interface Adme {
+                /**
+                 * Lipophilicity score from the internal LogD prediction.
+                 */
+                lipophilicity: number;
+                /**
+                 * Permeability score for this molecule.
+                 */
+                permeability: number;
+                /**
+                 * Solubility judgement for this molecule.
+                 */
+                solubility: 'high-confidence' | 'medium-confidence' | 'high-risk';
+            }
+        }
+        interface AdmeMoleculeFailed {
+            /**
+             * Internally generated molecule identifier.
+             */
+            id: string;
+            adme: null;
+            error: AdmeMoleculeFailed.Error;
+            /**
+             * Echoed SMILES from the request.
+             */
+            smiles: string;
+            status: 'failed';
+            /**
+             * Client-provided molecule identifier, if one was supplied.
+             */
+            external_id?: string;
+        }
+        namespace AdmeMoleculeFailed {
+            interface Error {
+                /**
+                 * Machine-readable error code
+                 */
+                code: string;
+                /**
+                 * Human-readable error message
+                 */
+                message: string;
+                /**
+                 * Additional field-level error details keyed by input path, when available.
+                 */
+                details?: unknown;
+            }
+        }
+    }
+}
+export interface AdmeListResponse {
+    /**
+     * Unique prediction identifier
+     */
+    id: string;
+    completed_at: string | null;
+    created_at: string;
+    /**
+     * When the input/output data was deleted, or null if still available
+     */
+    data_deleted_at: string | null;
+    /**
+     * Error details when failed
+     */
+    error: AdmeListResponse.Error | null;
+    /**
+     * When this resource and its associated data will be permanently deleted. Null
+     * while still in progress.
+     */
+    expires_at: string | null;
+    /**
+     * Whether this resource was created with a live API key.
+     */
+    livemode: boolean;
+    /**
+     * Model used for prediction
+     */
+    model: 'adme-v1';
+    started_at: string | null;
+    status: 'pending' | 'running' | 'succeeded' | 'failed';
+    /**
+     * Model version used for prediction
+     */
+    version: string;
+    /**
+     * Workspace ID
+     */
+    workspace_id: string;
+    /**
+     * Client-provided idempotency key
+     */
+    idempotency_key?: string;
+}
+export declare namespace AdmeListResponse {
+    /**
+     * Error details when failed
+     */
+    interface Error {
+        /**
+         * Machine-readable error code
+         */
+        code: string;
+        /**
+         * Human-readable error message
+         */
+        message: string;
+        /**
+         * Additional field-level error details keyed by input path, when available.
+         */
+        details?: unknown;
+    }
+}
+export interface AdmeDeleteDataResponse {
+    /**
+     * ID of the resource whose data was deleted
+     */
+    id: string;
+    data_deleted: true;
+    /**
+     * When the data was deleted
+     */
+    data_deleted_at: string;
+}
+export interface AdmeStartResponse {
+    /**
+     * Unique prediction identifier
+     */
+    id: string;
+    completed_at: string | null;
+    created_at: string;
+    /**
+     * When the input/output data was deleted, or null if still available
+     */
+    data_deleted_at: string | null;
+    /**
+     * Error details when failed
+     */
+    error: AdmeStartResponse.Error | null;
+    /**
+     * When this resource and its associated data will be permanently deleted. Null
+     * while still in progress.
+     */
+    expires_at: string | null;
+    /**
+     * Prediction input (null if data deleted)
+     */
+    input: AdmeStartResponse.Input | null;
+    /**
+     * Whether this resource was created with a live API key.
+     */
+    livemode: boolean;
+    /**
+     * Model used for prediction
+     */
+    model: 'adme-v1';
+    /**
+     * Prediction output when succeeded
+     */
+    output: AdmeStartResponse.Output | null;
+    started_at: string | null;
+    status: 'pending' | 'running' | 'succeeded' | 'failed';
+    /**
+     * Model version used for prediction
+     */
+    version: string;
+    /**
+     * Workspace ID
+     */
+    workspace_id: string;
+    /**
+     * Client-provided idempotency key
+     */
+    idempotency_key?: string;
+}
+export declare namespace AdmeStartResponse {
+    /**
+     * Error details when failed
+     */
+    interface Error {
+        /**
+         * Machine-readable error code
+         */
+        code: string;
+        /**
+         * Human-readable error message
+         */
+        message: string;
+        /**
+         * Additional field-level error details keyed by input path, when available.
+         */
+        details?: unknown;
+    }
+    /**
+     * Prediction input (null if data deleted)
+     */
+    interface Input {
+        /**
+         * Molecules to score. Results are returned in the same order as this list.
+         */
+        molecules: Array<Input.Molecule>;
+    }
+    namespace Input {
+        interface Molecule {
+            /**
+             * SMILES string of the molecule to predict ADME properties for.
+             */
+            smiles: string;
+            /**
+             * Optional client-provided identifier. Returned as `external_id` in the matching
+             * output item.
+             */
+            id?: string;
+        }
+    }
+    /**
+     * Prediction output when succeeded
+     */
+    interface Output {
+        /**
+         * Per-molecule results in the same order as the request. Successful molecules
+         * carry an `adme` summary. Failed molecules carry `status: "failed"` and a
+         * non-null `error`.
+         */
+        molecules: Array<Output.AdmeMoleculeSucceeded | Output.AdmeMoleculeFailed>;
+    }
+    namespace Output {
+        interface AdmeMoleculeSucceeded {
+            /**
+             * Internally generated molecule identifier.
+             */
+            id: string;
+            /**
+             * Tier 1 ADME summary values for this molecule.
+             */
+            adme: AdmeMoleculeSucceeded.Adme;
+            error: null;
+            /**
+             * Echoed SMILES from the request.
+             */
+            smiles: string;
+            status: 'succeeded';
+            /**
+             * Client-provided molecule identifier, if one was supplied.
+             */
+            external_id?: string;
+        }
+        namespace AdmeMoleculeSucceeded {
+            /**
+             * Tier 1 ADME summary values for this molecule.
+             */
+            interface Adme {
+                /**
+                 * Lipophilicity score from the internal LogD prediction.
+                 */
+                lipophilicity: number;
+                /**
+                 * Permeability score for this molecule.
+                 */
+                permeability: number;
+                /**
+                 * Solubility judgement for this molecule.
+                 */
+                solubility: 'high-confidence' | 'medium-confidence' | 'high-risk';
+            }
+        }
+        interface AdmeMoleculeFailed {
+            /**
+             * Internally generated molecule identifier.
+             */
+            id: string;
+            adme: null;
+            error: AdmeMoleculeFailed.Error;
+            /**
+             * Echoed SMILES from the request.
+             */
+            smiles: string;
+            status: 'failed';
+            /**
+             * Client-provided molecule identifier, if one was supplied.
+             */
+            external_id?: string;
+        }
+        namespace AdmeMoleculeFailed {
+            interface Error {
+                /**
+                 * Machine-readable error code
+                 */
+                code: string;
+                /**
+                 * Human-readable error message
+                 */
+                message: string;
+                /**
+                 * Additional field-level error details keyed by input path, when available.
+                 */
+                details?: unknown;
+            }
+        }
+    }
+}
+export interface AdmeRetrieveParams {
+    /**
+     * Workspace ID. Only used with admin API keys. Ignored (or validated) for
+     * workspace-scoped keys.
+     */
+    workspace_id?: string;
+}
+export interface AdmeListParams extends CursorPageParams {
+    /**
+     * Filter by workspace ID. Only used with admin API keys. If not provided, defaults
+     * to the workspace associated with the API key, or the default workspace for admin
+     * keys.
+     */
+    workspace_id?: string;
+}
+export interface AdmeStartParams {
+    input: AdmeStartParams.Input;
+    /**
+     * Model to use for prediction
+     */
+    model: 'adme-v1';
+    /**
+     * Client-provided key to prevent duplicate submissions on retries
+     */
+    idempotency_key?: string;
+    /**
+     * Target workspace ID (admin keys only; ignored for workspace keys)
+     */
+    workspace_id?: string;
+}
+export declare namespace AdmeStartParams {
+    interface Input {
+        /**
+         * Molecules to score. Results are returned in the same order as this list.
+         */
+        molecules: Array<Input.Molecule>;
+    }
+    namespace Input {
+        interface Molecule {
+            /**
+             * SMILES string of the molecule to predict ADME properties for.
+             */
+            smiles: string;
+            /**
+             * Optional client-provided identifier. Returned as `external_id` in the matching
+             * output item.
+             */
+            id?: string;
+        }
+    }
+}
+export declare namespace Adme {
+    export { type AdmeRetrieveResponse as AdmeRetrieveResponse, type AdmeListResponse as AdmeListResponse, type AdmeDeleteDataResponse as AdmeDeleteDataResponse, type AdmeStartResponse as AdmeStartResponse, type AdmeListResponsesCursorPage as AdmeListResponsesCursorPage, type AdmeRetrieveParams as AdmeRetrieveParams, type AdmeListParams as AdmeListParams, type AdmeStartParams as AdmeStartParams, };
+}
+//# sourceMappingURL=adme.d.ts.map

package/resources/predictions/adme.d.ts.map

@@ -0,0 +1 @@
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package/resources/predictions/adme.js

@@ -0,0 +1,72 @@
+"use strict";
+// File generated from our OpenAPI spec by Stainless. See CONTRIBUTING.md for details.
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.Adme = void 0;
+const resource_1 = require("../../core/resource.js");
+const pagination_1 = require("../../core/pagination.js");
+const path_1 = require("../../internal/utils/path.js");
+/**
+ * Predict Tier 1 ADME summary values for a batch of small molecules specified by SMILES.
+ */
+class Adme extends resource_1.APIResource {
+    /**
+     * Retrieve an ADME prediction by ID, including its status and results.
+     *
+     * @example
+     * ```ts
+     * const adme = await client.predictions.adme.retrieve('id');
+     * ```
+     */
+    retrieve(id, query = {}, options) {
+        return this._client.get((0, path_1.path) `/compute/v1/predictions/adme/${id}`, { query, ...options });
+    }
+    /**
+     * List ADME predictions, optionally filtered by workspace
+     *
+     * @example
+     * ```ts
+     * // Automatically fetches more pages as needed.
+     * for await (const admeListResponse of client.predictions.adme.list()) {
+     *   // ...
+     * }
+     * ```
+     */
+    list(query = {}, options) {
+        return this._client.getAPIList('/compute/v1/predictions/adme', (pagination_1.CursorPage), {
+            query,
+            ...options,
+        });
+    }
+    /**
+     * Permanently delete the input, output, and result data associated with this
+     * prediction. The prediction record itself is retained with a `data_deleted_at`
+     * timestamp. This action is irreversible.
+     *
+     * @example
+     * ```ts
+     * const response = await client.predictions.adme.deleteData(
+     *   'id',
+     * );
+     * ```
+     */
+    deleteData(id, options) {
+        return this._client.post((0, path_1.path) `/compute/v1/predictions/adme/${id}/delete-data`, options);
+    }
+    /**
+     * Submit a prediction job that returns Tier 1 ADME summary values for each
+     * requested molecule.
+     *
+     * @example
+     * ```ts
+     * const response = await client.predictions.adme.start({
+     *   input: { molecules: [{ smiles: 'x' }] },
+     *   model: 'adme-v1',
+     * });
+     * ```
+     */
+    start(body, options) {
+        return this._client.post('/compute/v1/predictions/adme', { body, ...options });
+    }
+}
+exports.Adme = Adme;
+//# sourceMappingURL=adme.js.map

package/resources/predictions/adme.js.map

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package/resources/predictions/adme.mjs

@@ -0,0 +1,68 @@
+// 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";
+/**
+ * Predict Tier 1 ADME summary values for a batch of small molecules specified by SMILES.
+ */
+export class Adme extends APIResource {
+    /**
+     * Retrieve an ADME prediction by ID, including its status and results.
+     *
+     * @example
+     * ```ts
+     * const adme = await client.predictions.adme.retrieve('id');
+     * ```
+     */
+    retrieve(id, query = {}, options) {
+        return this._client.get(path `/compute/v1/predictions/adme/${id}`, { query, ...options });
+    }
+    /**
+     * List ADME predictions, optionally filtered by workspace
+     *
+     * @example
+     * ```ts
+     * // Automatically fetches more pages as needed.
+     * for await (const admeListResponse of client.predictions.adme.list()) {
+     *   // ...
+     * }
+     * ```
+     */
+    list(query = {}, options) {
+        return this._client.getAPIList('/compute/v1/predictions/adme', (CursorPage), {
+            query,
+            ...options,
+        });
+    }
+    /**
+     * Permanently delete the input, output, and result data associated with this
+     * prediction. The prediction record itself is retained with a `data_deleted_at`
+     * timestamp. This action is irreversible.
+     *
+     * @example
+     * ```ts
+     * const response = await client.predictions.adme.deleteData(
+     *   'id',
+     * );
+     * ```
+     */
+    deleteData(id, options) {
+        return this._client.post(path `/compute/v1/predictions/adme/${id}/delete-data`, options);
+    }
+    /**
+     * Submit a prediction job that returns Tier 1 ADME summary values for each
+     * requested molecule.
+     *
+     * @example
+     * ```ts
+     * const response = await client.predictions.adme.start({
+     *   input: { molecules: [{ smiles: 'x' }] },
+     *   model: 'adme-v1',
+     * });
+     * ```
+     */
+    start(body, options) {
+        return this._client.post('/compute/v1/predictions/adme', { body, ...options });
+    }
+}
+//# sourceMappingURL=adme.mjs.map

package/resources/predictions/adme.mjs.map

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