boltz-api 0.45.0 → 0.46.0

package/resources/predictions/structure-and-binding.d.ts.map

@@ -1 +1 @@
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package/resources/predictions/structure-and-binding.js

@@ -109,36 +109,6 @@ class StructureAndBinding extends resource_1.APIResource {
     start(body, options) {
         return this._client.post('/compute/v1/predictions/structure-and-binding', { body, ...options });
     }
-    /**
-     * Returns the total token count for a prospective Boltz2 complex along with the
-     * maximum token count the caller's compute config will accept. Pure introspection
-     * — never rejects when the complex is too large; still rejects on malformed inputs
-     * the model could not interpret. Use the sandbox prediction endpoint if you need
-     * the cap enforced.
-     *
-     * @example
-     * ```ts
-     * const response =
-     *   await client.predictions.structureAndBinding.tokenCount({
-     *     input: {
-     *       entities: [
-     *         {
-     *           chain_ids: ['string'],
-     *           type: 'protein',
-     *           value: 'value',
-     *         },
-     *       ],
-     *     },
-     *     model: 'boltz-2.1',
-     *   });
-     * ```
-     */
-    tokenCount(body, options) {
-        return this._client.post('/compute/v1/predictions/structure-and-binding/token-count', {
-            body,
-            ...options,
-        });
-    }
 }
 exports.StructureAndBinding = StructureAndBinding;
 //# sourceMappingURL=structure-and-binding.js.map

package/resources/predictions/structure-and-binding.js.map

@@ -1 +1 @@
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package/resources/predictions/structure-and-binding.mjs

@@ -106,35 +106,5 @@ export class StructureAndBinding extends APIResource {
     start(body, options) {
         return this._client.post('/compute/v1/predictions/structure-and-binding', { body, ...options });
     }
-    /**
-     * Returns the total token count for a prospective Boltz2 complex along with the
-     * maximum token count the caller's compute config will accept. Pure introspection
-     * — never rejects when the complex is too large; still rejects on malformed inputs
-     * the model could not interpret. Use the sandbox prediction endpoint if you need
-     * the cap enforced.
-     *
-     * @example
-     * ```ts
-     * const response =
-     *   await client.predictions.structureAndBinding.tokenCount({
-     *     input: {
-     *       entities: [
-     *         {
-     *           chain_ids: ['string'],
-     *           type: 'protein',
-     *           value: 'value',
-     *         },
-     *       ],
-     *     },
-     *     model: 'boltz-2.1',
-     *   });
-     * ```
-     */
-    tokenCount(body, options) {
-        return this._client.post('/compute/v1/predictions/structure-and-binding/token-count', {
-            body,
-            ...options,
-        });
-    }
 }
 //# sourceMappingURL=structure-and-binding.mjs.map

package/resources/predictions/structure-and-binding.mjs.map

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

@@ -43,8 +43,8 @@ export declare class Design extends APIResource {
     deleteData(id: string, options?: RequestOptions): APIPromise<DesignDeleteDataResponse>;
     /**
      * Estimate the billed cost of a small molecule design run without creating any
-     * resource or consuming GPU. Includes the SynFlowNet generation charges implied by
-     * the scheduler iteration cap plus Boltz2 scoring for each requested molecule.
+     * resource or consuming GPU. Includes generation charges implied by the scheduler
+     * iteration cap plus structure-scoring charges for each requested molecule.
      *
      * @example
      * ```ts

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

@@ -43,8 +43,8 @@ export declare class Design extends APIResource {
     deleteData(id: string, options?: RequestOptions): APIPromise<DesignDeleteDataResponse>;
     /**
      * Estimate the billed cost of a small molecule design run without creating any
-     * resource or consuming GPU. Includes the SynFlowNet generation charges implied by
-     * the scheduler iteration cap plus Boltz2 scoring for each requested molecule.
+     * resource or consuming GPU. Includes generation charges implied by the scheduler
+     * iteration cap plus structure-scoring charges for each requested molecule.
      *
      * @example
      * ```ts

package/resources/small-molecule/design.js

@@ -55,8 +55,8 @@ class Design extends resource_1.APIResource {
     }
     /**
      * Estimate the billed cost of a small molecule design run without creating any
-     * resource or consuming GPU. Includes the SynFlowNet generation charges implied by
-     * the scheduler iteration cap plus Boltz2 scoring for each requested molecule.
+     * resource or consuming GPU. Includes generation charges implied by the scheduler
+     * iteration cap plus structure-scoring charges for each requested molecule.
      *
      * @example
      * ```ts

package/resources/small-molecule/design.mjs

@@ -52,8 +52,8 @@ export class Design extends APIResource {
     }
     /**
      * Estimate the billed cost of a small molecule design run without creating any
-     * resource or consuming GPU. Includes the SynFlowNet generation charges implied by
-     * the scheduler iteration cap plus Boltz2 scoring for each requested molecule.
+     * resource or consuming GPU. Includes generation charges implied by the scheduler
+     * iteration cap plus structure-scoring charges for each requested molecule.
      *
      * @example
      * ```ts

package/src/resources/predictions/adme.ts

@@ -63,6 +63,24 @@ export class Adme extends APIResource {
     return this._client.post(path`/compute/v1/predictions/adme/${id}/delete-data`, options);
   }
 
+  /**
+   * Estimate the cost of an ADME prediction without creating any resource or
+   * consuming GPU.
+   *
+   * @example
+   * ```ts
+   * const response = await client.predictions.adme.estimateCost(
+   *   {
+   *     input: { molecules: [{ smiles: 'x' }] },
+   *     model: 'adme-v1',
+   *   },
+   * );
+   * ```
+   */
+  estimateCost(body: AdmeEstimateCostParams, options?: RequestOptions): APIPromise<AdmeEstimateCostResponse> {
+    return this._client.post('/compute/v1/predictions/adme/estimate-cost', { body, ...options });
+  }
+
   /**
    * Submit a prediction job that returns Tier 1 ADME summary values for each
    * requested molecule.
@@ -391,6 +409,54 @@ export interface AdmeDeleteDataResponse {
   data_deleted_at: string;
 }
 
+/**
+ * Estimate response with monetary values encoded as decimal strings to preserve
+ * precision.
+ */
+export interface AdmeEstimateCostResponse {
+  /**
+   * Cost breakdown for the billed application.
+   */
+  breakdown: AdmeEstimateCostResponse.Breakdown;
+
+  disclaimer: string;
+
+  /**
+   * Estimated total cost as a decimal string
+   */
+  estimated_cost_usd: string;
+}
+
+export namespace AdmeEstimateCostResponse {
+  /**
+   * Cost breakdown for the billed application.
+   */
+  export interface Breakdown {
+    application:
+      | 'structure_and_binding'
+      | 'small_molecule_design'
+      | 'small_molecule_library_screen'
+      | 'protein_design'
+      | 'protein_redesign'
+      | 'protein_library_screen'
+      | 'adme';
+
+    /**
+     * Estimated cost per displayed unit as a decimal string, rounded up to 4 decimal
+     * places. This may include token-size multipliers or generation overhead;
+     * estimated_cost_usd is the authoritative total.
+     */
+    cost_per_unit_usd: string;
+
+    /**
+     * Number of units shown for the estimate. For structure-and-binding, this is the
+     * requested number of samples. For protein and small-molecule design/screen
+     * endpoints, this is the requested number of proteins or molecules.
+     */
+    num_units: number;
+  }
+}
+
 export interface AdmeStartResponse {
   /**
    * Unique prediction identifier
@@ -625,6 +691,49 @@ export interface AdmeListParams extends CursorPageParams {
   workspace_id?: string;
 }
 
+export interface AdmeEstimateCostParams {
+  input: AdmeEstimateCostParams.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 namespace AdmeEstimateCostParams {
+  export interface Input {
+    /**
+     * Molecules to score. Results are returned in the same order as this list.
+     */
+    molecules: Array<Input.Molecule>;
+  }
+
+  export namespace Input {
+    export 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 interface AdmeStartParams {
   input: AdmeStartParams.Input;
 
@@ -673,10 +782,12 @@ export declare namespace Adme {
     type AdmeRetrieveResponse as AdmeRetrieveResponse,
     type AdmeListResponse as AdmeListResponse,
     type AdmeDeleteDataResponse as AdmeDeleteDataResponse,
+    type AdmeEstimateCostResponse as AdmeEstimateCostResponse,
     type AdmeStartResponse as AdmeStartResponse,
     type AdmeListResponsesCursorPage as AdmeListResponsesCursorPage,
     type AdmeRetrieveParams as AdmeRetrieveParams,
     type AdmeListParams as AdmeListParams,
+    type AdmeEstimateCostParams as AdmeEstimateCostParams,
     type AdmeStartParams as AdmeStartParams,
   };
 }

package/src/resources/predictions/index.ts

@@ -5,9 +5,11 @@ export {
   type AdmeRetrieveResponse,
   type AdmeListResponse,
   type AdmeDeleteDataResponse,
+  type AdmeEstimateCostResponse,
   type AdmeStartResponse,
   type AdmeRetrieveParams,
   type AdmeListParams,
+  type AdmeEstimateCostParams,
   type AdmeStartParams,
   type AdmeListResponsesCursorPage,
 } from './adme';
@@ -19,11 +21,9 @@ export {
   type StructureAndBindingDeleteDataResponse,
   type StructureAndBindingEstimateCostResponse,
   type StructureAndBindingStartResponse,
-  type StructureAndBindingTokenCountResponse,
   type StructureAndBindingRetrieveParams,
   type StructureAndBindingListParams,
   type StructureAndBindingEstimateCostParams,
   type StructureAndBindingStartParams,
-  type StructureAndBindingTokenCountParams,
   type StructureAndBindingListResponsesCursorPage,
 } from './structure-and-binding';

package/src/resources/predictions/predictions.ts

@@ -5,6 +5,8 @@ import * as AdmeAPI from './adme';
 import {
   Adme,
   AdmeDeleteDataResponse,
+  AdmeEstimateCostParams,
+  AdmeEstimateCostResponse,
   AdmeListParams,
   AdmeListResponse,
   AdmeListResponsesCursorPage,
@@ -26,8 +28,6 @@ import {
   StructureAndBindingRetrieveResponse,
   StructureAndBindingStartParams,
   StructureAndBindingStartResponse,
-  StructureAndBindingTokenCountParams,
-  StructureAndBindingTokenCountResponse,
 } from './structure-and-binding';
 
 /**
@@ -50,13 +50,11 @@ export declare namespace Predictions {
     type StructureAndBindingDeleteDataResponse as StructureAndBindingDeleteDataResponse,
     type StructureAndBindingEstimateCostResponse as StructureAndBindingEstimateCostResponse,
     type StructureAndBindingStartResponse as StructureAndBindingStartResponse,
-    type StructureAndBindingTokenCountResponse as StructureAndBindingTokenCountResponse,
     type StructureAndBindingListResponsesCursorPage as StructureAndBindingListResponsesCursorPage,
     type StructureAndBindingRetrieveParams as StructureAndBindingRetrieveParams,
     type StructureAndBindingListParams as StructureAndBindingListParams,
     type StructureAndBindingEstimateCostParams as StructureAndBindingEstimateCostParams,
     type StructureAndBindingStartParams as StructureAndBindingStartParams,
-    type StructureAndBindingTokenCountParams as StructureAndBindingTokenCountParams,
   };
 
   export {
@@ -64,10 +62,12 @@ export declare namespace Predictions {
     type AdmeRetrieveResponse as AdmeRetrieveResponse,
     type AdmeListResponse as AdmeListResponse,
     type AdmeDeleteDataResponse as AdmeDeleteDataResponse,
+    type AdmeEstimateCostResponse as AdmeEstimateCostResponse,
     type AdmeStartResponse as AdmeStartResponse,
     type AdmeListResponsesCursorPage as AdmeListResponsesCursorPage,
     type AdmeRetrieveParams as AdmeRetrieveParams,
     type AdmeListParams as AdmeListParams,
+    type AdmeEstimateCostParams as AdmeEstimateCostParams,
     type AdmeStartParams as AdmeStartParams,
   };
 }