boltz-api 0.35.3 → 0.36.0

package/resources/small-molecule/library-screen.d.mts

@@ -176,7 +176,7 @@ export declare namespace LibraryScreenRetrieveResponse {
     interface Input {
         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;
         /**
@@ -197,7 +197,7 @@ export declare namespace LibraryScreenRetrieveResponse {
             url_expires_at: string;
         }
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         interface Target {
             /**
@@ -215,6 +215,11 @@ export declare namespace LibraryScreenRetrieveResponse {
              * currently support ligand_ccd only; ligand_smiles is unsupported.
              */
             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
@@ -232,6 +237,11 @@ export declare namespace LibraryScreenRetrieveResponse {
              * detection.
              */
             reference_ligands?: Array<string>;
+            /**
+             * Target is defined directly by protein sequences rather than a structure
+             * template.
+             */
+            type?: 'no_template';
         }
         namespace Target {
             interface Entity {
@@ -1082,7 +1092,7 @@ export declare namespace LibraryScreenStartResponse {
     interface Input {
         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;
         /**
@@ -1103,7 +1113,7 @@ export declare namespace LibraryScreenStartResponse {
             url_expires_at: string;
         }
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         interface Target {
             /**
@@ -1121,6 +1131,11 @@ export declare namespace LibraryScreenStartResponse {
              * currently support ligand_ccd only; ligand_smiles is unsupported.
              */
             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
@@ -1138,6 +1153,11 @@ export declare namespace LibraryScreenStartResponse {
              * detection.
              */
             reference_ligands?: Array<string>;
+            /**
+             * Target is defined directly by protein sequences rather than a structure
+             * template.
+             */
+            type?: 'no_template';
         }
         namespace Target {
             interface Entity {
@@ -1727,7 +1747,7 @@ export declare namespace LibraryScreenStopResponse {
     interface Input {
         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;
         /**
@@ -1748,7 +1768,7 @@ export declare namespace LibraryScreenStopResponse {
             url_expires_at: string;
         }
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         interface Target {
             /**
@@ -1766,6 +1786,11 @@ export declare namespace LibraryScreenStopResponse {
              * currently support ligand_ccd only; ligand_smiles is unsupported.
              */
             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
@@ -1783,6 +1808,11 @@ export declare namespace LibraryScreenStopResponse {
              * detection.
              */
             reference_ligands?: Array<string>;
+            /**
+             * Target is defined directly by protein sequences rather than a structure
+             * template.
+             */
+            type?: 'no_template';
         }
         namespace Target {
             interface Entity {
@@ -2327,7 +2357,7 @@ 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;
     /**
@@ -2359,7 +2389,7 @@ export declare namespace LibraryScreenEstimateCostParams {
         id?: string;
     }
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     interface Target {
         /**
@@ -2377,6 +2407,11 @@ export declare namespace LibraryScreenEstimateCostParams {
          * currently support ligand_ccd only; ligand_smiles is unsupported.
          */
         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
@@ -2394,6 +2429,11 @@ export declare namespace LibraryScreenEstimateCostParams {
          * detection.
          */
         reference_ligands?: Array<string>;
+        /**
+         * Target is defined directly by protein sequences rather than a structure
+         * template.
+         */
+        type?: 'no_template';
     }
     namespace Target {
         interface Entity {
@@ -2897,7 +2937,7 @@ 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;
     /**
@@ -2929,7 +2969,7 @@ export declare namespace LibraryScreenStartParams {
         id?: string;
     }
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     interface Target {
         /**
@@ -2947,6 +2987,11 @@ export declare namespace LibraryScreenStartParams {
          * currently support ligand_ccd only; ligand_smiles is unsupported.
          */
         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
@@ -2964,6 +3009,11 @@ export declare namespace LibraryScreenStartParams {
          * detection.
          */
         reference_ligands?: Array<string>;
+        /**
+         * Target is defined directly by protein sequences rather than a structure
+         * template.
+         */
+        type?: 'no_template';
     }
     namespace Target {
         interface Entity {

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

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

@@ -176,7 +176,7 @@ export declare namespace LibraryScreenRetrieveResponse {
     interface Input {
         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;
         /**
@@ -197,7 +197,7 @@ export declare namespace LibraryScreenRetrieveResponse {
             url_expires_at: string;
         }
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         interface Target {
             /**
@@ -215,6 +215,11 @@ export declare namespace LibraryScreenRetrieveResponse {
              * currently support ligand_ccd only; ligand_smiles is unsupported.
              */
             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
@@ -232,6 +237,11 @@ export declare namespace LibraryScreenRetrieveResponse {
              * detection.
              */
             reference_ligands?: Array<string>;
+            /**
+             * Target is defined directly by protein sequences rather than a structure
+             * template.
+             */
+            type?: 'no_template';
         }
         namespace Target {
             interface Entity {
@@ -1082,7 +1092,7 @@ export declare namespace LibraryScreenStartResponse {
     interface Input {
         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;
         /**
@@ -1103,7 +1113,7 @@ export declare namespace LibraryScreenStartResponse {
             url_expires_at: string;
         }
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         interface Target {
             /**
@@ -1121,6 +1131,11 @@ export declare namespace LibraryScreenStartResponse {
              * currently support ligand_ccd only; ligand_smiles is unsupported.
              */
             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
@@ -1138,6 +1153,11 @@ export declare namespace LibraryScreenStartResponse {
              * detection.
              */
             reference_ligands?: Array<string>;
+            /**
+             * Target is defined directly by protein sequences rather than a structure
+             * template.
+             */
+            type?: 'no_template';
         }
         namespace Target {
             interface Entity {
@@ -1727,7 +1747,7 @@ export declare namespace LibraryScreenStopResponse {
     interface Input {
         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;
         /**
@@ -1748,7 +1768,7 @@ export declare namespace LibraryScreenStopResponse {
             url_expires_at: string;
         }
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         interface Target {
             /**
@@ -1766,6 +1786,11 @@ export declare namespace LibraryScreenStopResponse {
              * currently support ligand_ccd only; ligand_smiles is unsupported.
              */
             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
@@ -1783,6 +1808,11 @@ export declare namespace LibraryScreenStopResponse {
              * detection.
              */
             reference_ligands?: Array<string>;
+            /**
+             * Target is defined directly by protein sequences rather than a structure
+             * template.
+             */
+            type?: 'no_template';
         }
         namespace Target {
             interface Entity {
@@ -2327,7 +2357,7 @@ 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;
     /**
@@ -2359,7 +2389,7 @@ export declare namespace LibraryScreenEstimateCostParams {
         id?: string;
     }
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     interface Target {
         /**
@@ -2377,6 +2407,11 @@ export declare namespace LibraryScreenEstimateCostParams {
          * currently support ligand_ccd only; ligand_smiles is unsupported.
          */
         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
@@ -2394,6 +2429,11 @@ export declare namespace LibraryScreenEstimateCostParams {
          * detection.
          */
         reference_ligands?: Array<string>;
+        /**
+         * Target is defined directly by protein sequences rather than a structure
+         * template.
+         */
+        type?: 'no_template';
     }
     namespace Target {
         interface Entity {
@@ -2897,7 +2937,7 @@ 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;
     /**
@@ -2929,7 +2969,7 @@ export declare namespace LibraryScreenStartParams {
         id?: string;
     }
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     interface Target {
         /**
@@ -2947,6 +2987,11 @@ export declare namespace LibraryScreenStartParams {
          * currently support ligand_ccd only; ligand_smiles is unsupported.
          */
         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
@@ -2964,6 +3009,11 @@ export declare namespace LibraryScreenStartParams {
          * detection.
          */
         reference_ligands?: Array<string>;
+        /**
+         * Target is defined directly by protein sequences rather than a structure
+         * template.
+         */
+        type?: 'no_template';
     }
     namespace Target {
         interface Entity {