boltz-api 0.42.0 → 0.44.0

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

@@ -310,13 +310,6 @@ export 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
@@ -608,19 +601,6 @@ export 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.
-       */
-      export interface PrecomputedAffinityPocket {
-        method: 'reference_ligands' | 'residue_ids';
-
-        pocket_file_url: string;
-
-        structure_file_url: string;
-      }
     }
 
     /**
@@ -1163,6 +1143,8 @@ export namespace DesignListResultsResponse {
     archive: Artifacts.Archive;
 
     structure: Artifacts.Structure;
+
+    ligand_structure?: Artifacts.LigandStructure;
   }
 
   export namespace Artifacts {
@@ -1189,6 +1171,18 @@ export namespace DesignListResultsResponse {
        */
       url_expires_at: string;
     }
+
+    export interface LigandStructure {
+      /**
+       * URL to download the file
+       */
+      url: string;
+
+      /**
+       * When the presigned URL expires
+       */
+      url_expires_at: string;
+    }
   }
 
   /**
@@ -1420,13 +1414,6 @@ export 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
@@ -1718,19 +1705,6 @@ export 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.
-       */
-      export interface PrecomputedAffinityPocket {
-        method: 'reference_ligands' | 'residue_ids';
-
-        pocket_file_url: string;
-
-        structure_file_url: string;
-      }
     }
 
     /**
@@ -2230,13 +2204,6 @@ export 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
@@ -2528,19 +2495,6 @@ export 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.
-       */
-      export interface PrecomputedAffinityPocket {
-        method: 'reference_ligands' | 'residue_ids';
-
-        pocket_file_url: string;
-
-        structure_file_url: string;
-      }
     }
 
     /**
@@ -2976,13 +2930,6 @@ export 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
@@ -3270,19 +3217,6 @@ export 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.
-     */
-    export interface PrecomputedAffinityPocket {
-      method: 'reference_ligands' | 'residue_ids';
-
-      pocket_file_url: string;
-
-      structure_file_url: string;
-    }
   }
 
   /**
@@ -3691,13 +3625,6 @@ export 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
@@ -3985,19 +3912,6 @@ export 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.
-     */
-    export interface PrecomputedAffinityPocket {
-      method: 'reference_ligands' | 'residue_ids';
-
-      pocket_file_url: string;
-
-      structure_file_url: string;
-    }
   }
 
   /**

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

@@ -300,13 +300,6 @@ export namespace LibraryScreenRetrieveResponse {
        */
       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
@@ -598,19 +591,6 @@ export namespace LibraryScreenRetrieveResponse {
           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.
-       */
-      export interface PrecomputedAffinityPocket {
-        method: 'reference_ligands' | 'residue_ids';
-
-        pocket_file_url: string;
-
-        structure_file_url: string;
-      }
     }
 
     /**
@@ -1202,6 +1182,8 @@ export namespace LibraryScreenListResultsResponse {
     archive: Artifacts.Archive;
 
     structure: Artifacts.Structure;
+
+    ligand_structure?: Artifacts.LigandStructure;
   }
 
   export namespace Artifacts {
@@ -1228,6 +1210,18 @@ export namespace LibraryScreenListResultsResponse {
        */
       url_expires_at: string;
     }
+
+    export interface LigandStructure {
+      /**
+       * URL to download the file
+       */
+      url: string;
+
+      /**
+       * When the presigned URL expires
+       */
+      url_expires_at: string;
+    }
   }
 
   /**
@@ -1451,13 +1445,6 @@ export namespace LibraryScreenStartResponse {
        */
       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
@@ -1749,19 +1736,6 @@ export namespace LibraryScreenStartResponse {
           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.
-       */
-      export interface PrecomputedAffinityPocket {
-        method: 'reference_ligands' | 'residue_ids';
-
-        pocket_file_url: string;
-
-        structure_file_url: string;
-      }
     }
 
     /**
@@ -2275,13 +2249,6 @@ export namespace LibraryScreenStopResponse {
        */
       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
@@ -2573,19 +2540,6 @@ export namespace LibraryScreenStopResponse {
           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.
-       */
-      export interface PrecomputedAffinityPocket {
-        method: 'reference_ligands' | 'residue_ids';
-
-        pocket_file_url: string;
-
-        structure_file_url: string;
-      }
     }
 
     /**
@@ -3051,13 +3005,6 @@ export namespace LibraryScreenEstimateCostParams {
      */
     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
@@ -3345,19 +3292,6 @@ export namespace LibraryScreenEstimateCostParams {
         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.
-     */
-    export interface PrecomputedAffinityPocket {
-      method: 'reference_ligands' | 'residue_ids';
-
-      pocket_file_url: string;
-
-      structure_file_url: string;
-    }
   }
 
   /**
@@ -3774,13 +3708,6 @@ export namespace LibraryScreenStartParams {
      */
     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
@@ -4068,19 +3995,6 @@ export namespace LibraryScreenStartParams {
         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.
-     */
-    export interface PrecomputedAffinityPocket {
-      method: 'reference_ligands' | 'residue_ids';
-
-      pocket_file_url: string;
-
-      structure_file_url: string;
-    }
   }
 
   /**

package/src/version.ts

@@ -1 +1 @@
-export const VERSION = '0.42.0'; // x-release-please-version
+export const VERSION = '0.44.0'; // x-release-please-version

package/version.d.mts

@@ -1,2 +1,2 @@
-export declare const VERSION = "0.42.0";
+export declare const VERSION = "0.44.0";
 //# sourceMappingURL=version.d.mts.map

package/version.d.ts

@@ -1,2 +1,2 @@
-export declare const VERSION = "0.42.0";
+export declare const VERSION = "0.44.0";
 //# 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 = '0.42.0'; // x-release-please-version
+exports.VERSION = '0.44.0'; // x-release-please-version
 //# sourceMappingURL=version.js.map

package/version.mjs

@@ -1,2 +1,2 @@
-export const VERSION = '0.42.0'; // x-release-please-version
+export const VERSION = '0.44.0'; // x-release-please-version
 //# sourceMappingURL=version.mjs.map