boltz-api 0.40.0 → 0.42.0

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

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

@@ -236,6 +236,12 @@ export declare namespace DesignRetrieveResponse {
             pocket_residues?: {
                 [key: string]: Array<number>;
             };
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
             /**
              * Reference ligands as SMILES strings that help the model identify the binding
              * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -478,6 +484,16 @@ export declare namespace DesignRetrieveResponse {
                     type: 'ligand_contact';
                 }
             }
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            interface PrecomputedAffinityPocket {
+                method: 'reference_ligands' | 'residue_ids';
+                pocket_file_url: string;
+                structure_file_url: string;
+            }
         }
         /**
          * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -757,16 +773,6 @@ export declare namespace DesignRetrieveResponse {
          * ID of the most recently generated result
          */
         latest_result_id?: string;
-        /**
-         * Cumulative number of molecules produced by the model before filtering and
-         * deduplication. Useful for monitoring generation efficiency.
-         */
-        total_molecules_generated_pre_filter?: number;
-        /**
-         * Cumulative number of molecules that survived filtering and deduplication and
-         * became scoreable samples.
-         */
-        total_molecules_inserted?: number;
     }
 }
 /**
@@ -838,16 +844,6 @@ export declare namespace DesignListResponse {
          * ID of the most recently generated result
          */
         latest_result_id?: string;
-        /**
-         * Cumulative number of molecules produced by the model before filtering and
-         * deduplication. Useful for monitoring generation efficiency.
-         */
-        total_molecules_generated_pre_filter?: number;
-        /**
-         * Cumulative number of molecules that survived filtering and deduplication and
-         * became scoreable samples.
-         */
-        total_molecules_inserted?: number;
     }
 }
 export interface DesignDeleteDataResponse {
@@ -1141,6 +1137,12 @@ export declare namespace DesignStartResponse {
             pocket_residues?: {
                 [key: string]: Array<number>;
             };
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
             /**
              * Reference ligands as SMILES strings that help the model identify the binding
              * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -1383,6 +1385,16 @@ export declare namespace DesignStartResponse {
                     type: 'ligand_contact';
                 }
             }
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            interface PrecomputedAffinityPocket {
+                method: 'reference_ligands' | 'residue_ids';
+                pocket_file_url: string;
+                structure_file_url: string;
+            }
         }
         /**
          * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -1662,16 +1674,6 @@ export declare namespace DesignStartResponse {
          * ID of the most recently generated result
          */
         latest_result_id?: string;
-        /**
-         * Cumulative number of molecules produced by the model before filtering and
-         * deduplication. Useful for monitoring generation efficiency.
-         */
-        total_molecules_generated_pre_filter?: number;
-        /**
-         * Cumulative number of molecules that survived filtering and deduplication and
-         * became scoreable samples.
-         */
-        total_molecules_inserted?: number;
     }
 }
 /**
@@ -1797,6 +1799,12 @@ export declare namespace DesignStopResponse {
             pocket_residues?: {
                 [key: string]: Array<number>;
             };
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
             /**
              * Reference ligands as SMILES strings that help the model identify the binding
              * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -2039,6 +2047,16 @@ export declare namespace DesignStopResponse {
                     type: 'ligand_contact';
                 }
             }
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            interface PrecomputedAffinityPocket {
+                method: 'reference_ligands' | 'residue_ids';
+                pocket_file_url: string;
+                structure_file_url: string;
+            }
         }
         /**
          * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -2318,16 +2336,6 @@ export declare namespace DesignStopResponse {
          * ID of the most recently generated result
          */
         latest_result_id?: string;
-        /**
-         * Cumulative number of molecules produced by the model before filtering and
-         * deduplication. Useful for monitoring generation efficiency.
-         */
-        total_molecules_generated_pre_filter?: number;
-        /**
-         * Cumulative number of molecules that survived filtering and deduplication and
-         * became scoreable samples.
-         */
-        total_molecules_inserted?: number;
     }
 }
 export interface DesignRetrieveParams {
@@ -2405,6 +2413,12 @@ export declare namespace DesignEstimateCostParams {
         pocket_residues?: {
             [key: string]: Array<number>;
         };
+        /**
+         * Precomputed affinity-pocket artifacts for this target. When provided,
+         * small-molecule design/screen pipelines reuse this pocket and skip Compute
+         * affinity pocket search.
+         */
+        precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
         /**
          * Reference ligands as SMILES strings that help the model identify the binding
          * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -2647,6 +2661,16 @@ export declare namespace DesignEstimateCostParams {
                 type: 'ligand_contact';
             }
         }
+        /**
+         * Precomputed affinity-pocket artifacts for this target. When provided,
+         * small-molecule design/screen pipelines reuse this pocket and skip Compute
+         * affinity pocket search.
+         */
+        interface PrecomputedAffinityPocket {
+            method: 'reference_ligands' | 'residue_ids';
+            pocket_file_url: string;
+            structure_file_url: string;
+        }
     }
     /**
      * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -2980,6 +3004,12 @@ export declare namespace DesignStartParams {
         pocket_residues?: {
             [key: string]: Array<number>;
         };
+        /**
+         * Precomputed affinity-pocket artifacts for this target. When provided,
+         * small-molecule design/screen pipelines reuse this pocket and skip Compute
+         * affinity pocket search.
+         */
+        precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
         /**
          * Reference ligands as SMILES strings that help the model identify the binding
          * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -3222,6 +3252,16 @@ export declare namespace DesignStartParams {
                 type: 'ligand_contact';
             }
         }
+        /**
+         * Precomputed affinity-pocket artifacts for this target. When provided,
+         * small-molecule design/screen pipelines reuse this pocket and skip Compute
+         * affinity pocket search.
+         */
+        interface PrecomputedAffinityPocket {
+            method: 'reference_ligands' | 'residue_ids';
+            pocket_file_url: string;
+            structure_file_url: string;
+        }
     }
     /**
      * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering

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

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