boltz-api 0.35.3 → 0.37.0

package/src/resources/predictions/structure-and-binding.ts

@@ -658,6 +658,12 @@ export namespace StructureAndBindingRetrieveResponse {
     }
 
     export interface ModelOptions {
+      /**
+       * Use the provided pocket constraint as input conditioning during affinity
+       * prediction.
+       */
+      enable_pocket_conditioning?: boolean;
+
       /**
        * The number of recycling steps to use for prediction. Default is 3.
        */
@@ -985,6 +991,7 @@ export namespace StructureAndBindingEstimateCostResponse {
       | 'small_molecule_design'
       | 'small_molecule_library_screen'
       | 'protein_design'
+      | 'protein_redesign'
       | 'protein_library_screen'
       | 'adme';
 
@@ -1530,6 +1537,12 @@ export namespace StructureAndBindingStartResponse {
     }
 
     export interface ModelOptions {
+      /**
+       * Use the provided pocket constraint as input conditioning during affinity
+       * prediction.
+       */
+      enable_pocket_conditioning?: boolean;
+
       /**
        * The number of recycling steps to use for prediction. Default is 3.
        */
@@ -2206,6 +2219,12 @@ export namespace StructureAndBindingEstimateCostParams {
     }
 
     export interface ModelOptions {
+      /**
+       * Use the provided pocket constraint as input conditioning during affinity
+       * prediction.
+       */
+      enable_pocket_conditioning?: boolean;
+
       /**
        * The number of recycling steps to use for prediction. Default is 3.
        */
@@ -2677,6 +2696,12 @@ export namespace StructureAndBindingStartParams {
     }
 
     export interface ModelOptions {
+      /**
+       * Use the provided pocket constraint as input conditioning during affinity
+       * prediction.
+       */
+      enable_pocket_conditioning?: boolean;
+
       /**
        * The number of recycling steps to use for prediction. Default is 3.
        */

package/src/resources/protein/design.ts

@@ -1550,6 +1550,7 @@ export namespace DesignEstimateCostResponse {
       | 'small_molecule_design'
       | 'small_molecule_library_screen'
       | 'protein_design'
+      | 'protein_redesign'
       | 'protein_library_screen'
       | 'adme';
 

package/src/resources/protein/library-screen.ts

@@ -964,6 +964,7 @@ export namespace LibraryScreenEstimateCostResponse {
       | 'small_molecule_design'
       | 'small_molecule_library_screen'
       | 'protein_design'
+      | 'protein_redesign'
       | 'protein_library_screen'
       | 'adme';
 

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

@@ -249,7 +249,7 @@ export namespace DesignRetrieveResponse {
     num_molecules: number;
 
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     target: Input.Target;
 
@@ -279,7 +279,7 @@ export namespace DesignRetrieveResponse {
 
   export namespace Input {
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     export interface Target {
       /**
@@ -300,6 +300,12 @@ export namespace DesignRetrieveResponse {
        */
       constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
 
+      /**
+       * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
+       * while scoring candidate molecules. Defaults to false.
+       */
+      enable_pocket_conditioning?: boolean;
+
       /**
        * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
        * and the value is an array of 0-indexed residue indices that define the binding
@@ -316,6 +322,12 @@ export namespace DesignRetrieveResponse {
        * detection.
        */
       reference_ligands?: Array<string>;
+
+      /**
+       * Target is defined directly by protein sequences rather than a structure
+       * template.
+       */
+      type?: 'no_template';
     }
 
     export namespace Target {
@@ -1071,6 +1083,7 @@ export namespace DesignEstimateCostResponse {
       | 'small_molecule_design'
       | 'small_molecule_library_screen'
       | 'protein_design'
+      | 'protein_redesign'
       | 'protein_library_screen'
       | 'adme';
 
@@ -1325,7 +1338,7 @@ export namespace DesignStartResponse {
     num_molecules: number;
 
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     target: Input.Target;
 
@@ -1355,7 +1368,7 @@ export namespace DesignStartResponse {
 
   export namespace Input {
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     export interface Target {
       /**
@@ -1376,6 +1389,12 @@ export namespace DesignStartResponse {
        */
       constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
 
+      /**
+       * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
+       * while scoring candidate molecules. Defaults to false.
+       */
+      enable_pocket_conditioning?: boolean;
+
       /**
        * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
        * and the value is an array of 0-indexed residue indices that define the binding
@@ -1392,6 +1411,12 @@ export namespace DesignStartResponse {
        * detection.
        */
       reference_ligands?: Array<string>;
+
+      /**
+       * Target is defined directly by protein sequences rather than a structure
+       * template.
+       */
+      type?: 'no_template';
     }
 
     export namespace Target {
@@ -2102,7 +2127,7 @@ export namespace DesignStopResponse {
     num_molecules: number;
 
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     target: Input.Target;
 
@@ -2132,7 +2157,7 @@ export namespace DesignStopResponse {
 
   export namespace Input {
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     export interface Target {
       /**
@@ -2153,6 +2178,12 @@ export namespace DesignStopResponse {
        */
       constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
 
+      /**
+       * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
+       * while scoring candidate molecules. Defaults to false.
+       */
+      enable_pocket_conditioning?: boolean;
+
       /**
        * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
        * and the value is an array of 0-indexed residue indices that define the binding
@@ -2169,6 +2200,12 @@ export namespace DesignStopResponse {
        * detection.
        */
       reference_ligands?: Array<string>;
+
+      /**
+       * Target is defined directly by protein sequences rather than a structure
+       * template.
+       */
+      type?: 'no_template';
     }
 
     export namespace Target {
@@ -2815,7 +2852,7 @@ export interface DesignEstimateCostParams {
   num_molecules: number;
 
   /**
-   * Target protein with binding pocket for small molecule design or screening
+   * Target protein sequences for small molecule design or screening.
    */
   target: DesignEstimateCostParams.Target;
 
@@ -2845,7 +2882,7 @@ export interface DesignEstimateCostParams {
 
 export namespace DesignEstimateCostParams {
   /**
-   * Target protein with binding pocket for small molecule design or screening
+   * Target protein sequences for small molecule design or screening.
    */
   export interface Target {
     /**
@@ -2866,6 +2903,12 @@ export namespace DesignEstimateCostParams {
      */
     constraints?: Array<Target.PocketConstraint | Target.ContactConstraint>;
 
+    /**
+     * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
+     * while scoring candidate molecules. Defaults to false.
+     */
+    enable_pocket_conditioning?: boolean;
+
     /**
      * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
      * and the value is an array of 0-indexed residue indices that define the binding
@@ -2882,6 +2925,12 @@ export namespace DesignEstimateCostParams {
      * detection.
      */
     reference_ligands?: Array<string>;
+
+    /**
+     * Target is defined directly by protein sequences rather than a structure
+     * template.
+     */
+    type?: 'no_template';
   }
 
   export namespace Target {
@@ -3497,7 +3546,7 @@ export interface DesignStartParams {
   num_molecules: number;
 
   /**
-   * Target protein with binding pocket for small molecule design or screening
+   * Target protein sequences for small molecule design or screening.
    */
   target: DesignStartParams.Target;
 
@@ -3527,7 +3576,7 @@ export interface DesignStartParams {
 
 export namespace DesignStartParams {
   /**
-   * Target protein with binding pocket for small molecule design or screening
+   * Target protein sequences for small molecule design or screening.
    */
   export interface Target {
     /**
@@ -3548,6 +3597,12 @@ export namespace DesignStartParams {
      */
     constraints?: Array<Target.PocketConstraint | Target.ContactConstraint>;
 
+    /**
+     * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
+     * while scoring candidate molecules. Defaults to false.
+     */
+    enable_pocket_conditioning?: boolean;
+
     /**
      * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
      * and the value is an array of 0-indexed residue indices that define the binding
@@ -3564,6 +3619,12 @@ export namespace DesignStartParams {
      * detection.
      */
     reference_ligands?: Array<string>;
+
+    /**
+     * Target is defined directly by protein sequences rather than a structure
+     * template.
+     */
+    type?: 'no_template';
   }
 
   export namespace Target {

package/src/resources/small-molecule/library-screen.ts

@@ -244,7 +244,7 @@ export namespace LibraryScreenRetrieveResponse {
     molecules: Input.Molecules;
 
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     target: Input.Target;
 
@@ -269,7 +269,7 @@ export namespace LibraryScreenRetrieveResponse {
     }
 
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     export interface Target {
       /**
@@ -290,6 +290,12 @@ export namespace LibraryScreenRetrieveResponse {
        */
       constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
 
+      /**
+       * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
+       * while scoring candidate molecules. Defaults to false.
+       */
+      enable_pocket_conditioning?: boolean;
+
       /**
        * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
        * and the value is an array of 0-indexed residue indices that define the binding
@@ -306,6 +312,12 @@ export namespace LibraryScreenRetrieveResponse {
        * detection.
        */
       reference_ligands?: Array<string>;
+
+      /**
+       * Target is defined directly by protein sequences rather than a structure
+       * template.
+       */
+      type?: 'no_template';
     }
 
     export namespace Target {
@@ -1105,6 +1117,7 @@ export namespace LibraryScreenEstimateCostResponse {
       | 'small_molecule_design'
       | 'small_molecule_library_screen'
       | 'protein_design'
+      | 'protein_redesign'
       | 'protein_library_screen'
       | 'adme';
 
@@ -1361,7 +1374,7 @@ export namespace LibraryScreenStartResponse {
     molecules: Input.Molecules;
 
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     target: Input.Target;
 
@@ -1386,7 +1399,7 @@ export namespace LibraryScreenStartResponse {
     }
 
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     export interface Target {
       /**
@@ -1407,6 +1420,12 @@ export namespace LibraryScreenStartResponse {
        */
       constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
 
+      /**
+       * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
+       * while scoring candidate molecules. Defaults to false.
+       */
+      enable_pocket_conditioning?: boolean;
+
       /**
        * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
        * and the value is an array of 0-indexed residue indices that define the binding
@@ -1423,6 +1442,12 @@ export namespace LibraryScreenStartResponse {
        * detection.
        */
       reference_ligands?: Array<string>;
+
+      /**
+       * Target is defined directly by protein sequences rather than a structure
+       * template.
+       */
+      type?: 'no_template';
     }
 
     export namespace Target {
@@ -2152,7 +2177,7 @@ export namespace LibraryScreenStopResponse {
     molecules: Input.Molecules;
 
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     target: Input.Target;
 
@@ -2177,7 +2202,7 @@ export namespace LibraryScreenStopResponse {
     }
 
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     export interface Target {
       /**
@@ -2198,6 +2223,12 @@ export namespace LibraryScreenStopResponse {
        */
       constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
 
+      /**
+       * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
+       * while scoring candidate molecules. Defaults to false.
+       */
+      enable_pocket_conditioning?: boolean;
+
       /**
        * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
        * and the value is an array of 0-indexed residue indices that define the binding
@@ -2214,6 +2245,12 @@ export namespace LibraryScreenStopResponse {
        * detection.
        */
       reference_ligands?: Array<string>;
+
+      /**
+       * Target is defined directly by protein sequences rather than a structure
+       * template.
+       */
+      type?: 'no_template';
     }
 
     export namespace Target {
@@ -2882,7 +2919,7 @@ export interface LibraryScreenEstimateCostParams {
   molecules: Array<LibraryScreenEstimateCostParams.Molecule>;
 
   /**
-   * Target protein with binding pocket for small molecule design or screening
+   * Target protein sequences for small molecule design or screening.
    */
   target: LibraryScreenEstimateCostParams.Target;
 
@@ -2920,7 +2957,7 @@ export namespace LibraryScreenEstimateCostParams {
   }
 
   /**
-   * Target protein with binding pocket for small molecule design or screening
+   * Target protein sequences for small molecule design or screening.
    */
   export interface Target {
     /**
@@ -2941,6 +2978,12 @@ export namespace LibraryScreenEstimateCostParams {
      */
     constraints?: Array<Target.PocketConstraint | Target.ContactConstraint>;
 
+    /**
+     * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
+     * while scoring candidate molecules. Defaults to false.
+     */
+    enable_pocket_conditioning?: boolean;
+
     /**
      * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
      * and the value is an array of 0-indexed residue indices that define the binding
@@ -2957,6 +3000,12 @@ export namespace LibraryScreenEstimateCostParams {
      * detection.
      */
     reference_ligands?: Array<string>;
+
+    /**
+     * Target is defined directly by protein sequences rather than a structure
+     * template.
+     */
+    type?: 'no_template';
   }
 
   export namespace Target {
@@ -3572,7 +3621,7 @@ export interface LibraryScreenStartParams {
   molecules: Array<LibraryScreenStartParams.Molecule>;
 
   /**
-   * Target protein with binding pocket for small molecule design or screening
+   * Target protein sequences for small molecule design or screening.
    */
   target: LibraryScreenStartParams.Target;
 
@@ -3610,7 +3659,7 @@ export namespace LibraryScreenStartParams {
   }
 
   /**
-   * Target protein with binding pocket for small molecule design or screening
+   * Target protein sequences for small molecule design or screening.
    */
   export interface Target {
     /**
@@ -3631,6 +3680,12 @@ export namespace LibraryScreenStartParams {
      */
     constraints?: Array<Target.PocketConstraint | Target.ContactConstraint>;
 
+    /**
+     * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
+     * while scoring candidate molecules. Defaults to false.
+     */
+    enable_pocket_conditioning?: boolean;
+
     /**
      * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
      * and the value is an array of 0-indexed residue indices that define the binding
@@ -3647,6 +3702,12 @@ export namespace LibraryScreenStartParams {
      * detection.
      */
     reference_ligands?: Array<string>;
+
+    /**
+     * Target is defined directly by protein sequences rather than a structure
+     * template.
+     */
+    type?: 'no_template';
   }
 
   export namespace Target {

package/src/version.ts

@@ -1 +1 @@
-export const VERSION = '0.35.3'; // x-release-please-version
+export const VERSION = '0.37.0'; // x-release-please-version

package/version.d.mts

@@ -1,2 +1,2 @@
-export declare const VERSION = "0.35.3";
+export declare const VERSION = "0.37.0";
 //# sourceMappingURL=version.d.mts.map

package/version.d.ts

@@ -1,2 +1,2 @@
-export declare const VERSION = "0.35.3";
+export declare const VERSION = "0.37.0";
 //# sourceMappingURL=version.d.ts.map

package/version.js

@@ -1,5 +1,5 @@
 "use strict";
 Object.defineProperty(exports, "__esModule", { value: true });
 exports.VERSION = void 0;
-exports.VERSION = '0.35.3'; // x-release-please-version
+exports.VERSION = '0.37.0'; // x-release-please-version
 //# sourceMappingURL=version.js.map

package/version.mjs

@@ -1,2 +1,2 @@
-export const VERSION = '0.35.3'; // x-release-please-version
+export const VERSION = '0.37.0'; // x-release-please-version
 //# sourceMappingURL=version.mjs.map