boltz-api 0.30.4 → 0.35.3

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

@@ -341,11 +341,11 @@ export namespace DesignRetrieveResponse {
          * Post-translational modifications. Optional; defaults to an empty list when
          * omitted.
          */
-        modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
+        modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
-        export interface CcdModificationResponse {
+        export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
@@ -359,20 +359,6 @@ export namespace DesignRetrieveResponse {
            */
           value: string;
         }
-
-        export interface SmilesModificationResponse {
-          /**
-           * 0-based index of the residue to modify
-           */
-          residue_index: number;
-
-          type: 'smiles';
-
-          /**
-           * SMILES string for the modification
-           */
-          value: string;
-        }
       }
 
       /**
@@ -1127,6 +1113,11 @@ export interface DesignListResultsResponse {
    */
   smiles: string;
 
+  /**
+   * Tier 1 ADME summary values for this molecule.
+   */
+  adme?: DesignListResultsResponse.Adme;
+
   /**
    * Warnings about potential quality issues with this result.
    */
@@ -1210,6 +1201,26 @@ export namespace DesignListResultsResponse {
     structure_confidence: number;
   }
 
+  /**
+   * Tier 1 ADME summary values for this molecule.
+   */
+  export interface Adme {
+    /**
+     * Lipophilicity score from the internal LogD prediction.
+     */
+    lipophilicity: number;
+
+    /**
+     * Permeability score for this molecule.
+     */
+    permeability: number;
+
+    /**
+     * Solubility judgement for this molecule.
+     */
+    solubility: 'high-confidence' | 'medium-confidence' | 'high-risk';
+  }
+
   /**
    * A warning about a potential quality issue with a result
    */
@@ -1406,11 +1417,11 @@ export namespace DesignStartResponse {
          * Post-translational modifications. Optional; defaults to an empty list when
          * omitted.
          */
-        modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
+        modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
-        export interface CcdModificationResponse {
+        export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
@@ -1424,20 +1435,6 @@ export namespace DesignStartResponse {
            */
           value: string;
         }
-
-        export interface SmilesModificationResponse {
-          /**
-           * 0-based index of the residue to modify
-           */
-          residue_index: number;
-
-          type: 'smiles';
-
-          /**
-           * SMILES string for the modification
-           */
-          value: string;
-        }
       }
 
       /**
@@ -2197,11 +2194,11 @@ export namespace DesignStopResponse {
          * Post-translational modifications. Optional; defaults to an empty list when
          * omitted.
          */
-        modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
+        modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
-        export interface CcdModificationResponse {
+        export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
@@ -2215,20 +2212,6 @@ export namespace DesignStopResponse {
            */
           value: string;
         }
-
-        export interface SmilesModificationResponse {
-          /**
-           * 0-based index of the residue to modify
-           */
-          residue_index: number;
-
-          type: 'smiles';
-
-          /**
-           * SMILES string for the modification
-           */
-          value: string;
-        }
       }
 
       /**
@@ -2924,11 +2907,11 @@ export namespace DesignEstimateCostParams {
        * Post-translational modifications. Optional; defaults to an empty list when
        * omitted.
        */
-      modifications?: Array<Entity.CcdModification | Entity.SmilesModification>;
+      modifications?: Array<Entity.Modification>;
     }
 
     export namespace Entity {
-      export interface CcdModification {
+      export interface Modification {
         /**
          * 0-based index of the residue to modify
          */
@@ -2942,20 +2925,6 @@ export namespace DesignEstimateCostParams {
          */
         value: string;
       }
-
-      export interface SmilesModification {
-        /**
-         * 0-based index of the residue to modify
-         */
-        residue_index: number;
-
-        type: 'smiles';
-
-        /**
-         * SMILES string for the modification
-         */
-        value: string;
-      }
     }
 
     /**
@@ -3620,11 +3589,11 @@ export namespace DesignStartParams {
        * Post-translational modifications. Optional; defaults to an empty list when
        * omitted.
        */
-      modifications?: Array<Entity.CcdModification | Entity.SmilesModification>;
+      modifications?: Array<Entity.Modification>;
     }
 
     export namespace Entity {
-      export interface CcdModification {
+      export interface Modification {
         /**
          * 0-based index of the residue to modify
          */
@@ -3638,20 +3607,6 @@ export namespace DesignStartParams {
          */
         value: string;
       }
-
-      export interface SmilesModification {
-        /**
-         * 0-based index of the residue to modify
-         */
-        residue_index: number;
-
-        type: 'smiles';
-
-        /**
-         * SMILES string for the modification
-         */
-        value: string;
-      }
     }
 
     /**

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

@@ -331,11 +331,11 @@ export namespace LibraryScreenRetrieveResponse {
          * Post-translational modifications. Optional; defaults to an empty list when
          * omitted.
          */
-        modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
+        modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
-        export interface CcdModificationResponse {
+        export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
@@ -349,20 +349,6 @@ export namespace LibraryScreenRetrieveResponse {
            */
           value: string;
         }
-
-        export interface SmilesModificationResponse {
-          /**
-           * 0-based index of the residue to modify
-           */
-          residue_index: number;
-
-          type: 'smiles';
-
-          /**
-           * SMILES string for the modification
-           */
-          value: string;
-        }
       }
 
       /**
@@ -1161,6 +1147,11 @@ export interface LibraryScreenListResultsResponse {
    */
   smiles: string;
 
+  /**
+   * Tier 1 ADME summary values for this molecule.
+   */
+  adme?: LibraryScreenListResultsResponse.Adme;
+
   /**
    * Client-provided identifier for this molecule, if provided
    */
@@ -1249,6 +1240,26 @@ export namespace LibraryScreenListResultsResponse {
     structure_confidence: number;
   }
 
+  /**
+   * Tier 1 ADME summary values for this molecule.
+   */
+  export interface Adme {
+    /**
+     * Lipophilicity score from the internal LogD prediction.
+     */
+    lipophilicity: number;
+
+    /**
+     * Permeability score for this molecule.
+     */
+    permeability: number;
+
+    /**
+     * Solubility judgement for this molecule.
+     */
+    solubility: 'high-confidence' | 'medium-confidence' | 'high-risk';
+  }
+
   /**
    * A warning about a potential quality issue with a result
    */
@@ -1437,11 +1448,11 @@ export namespace LibraryScreenStartResponse {
          * Post-translational modifications. Optional; defaults to an empty list when
          * omitted.
          */
-        modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
+        modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
-        export interface CcdModificationResponse {
+        export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
@@ -1455,20 +1466,6 @@ export namespace LibraryScreenStartResponse {
            */
           value: string;
         }
-
-        export interface SmilesModificationResponse {
-          /**
-           * 0-based index of the residue to modify
-           */
-          residue_index: number;
-
-          type: 'smiles';
-
-          /**
-           * SMILES string for the modification
-           */
-          value: string;
-        }
       }
 
       /**
@@ -2242,11 +2239,11 @@ export namespace LibraryScreenStopResponse {
          * Post-translational modifications. Optional; defaults to an empty list when
          * omitted.
          */
-        modifications?: Array<Entity.CcdModificationResponse | Entity.SmilesModificationResponse>;
+        modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
-        export interface CcdModificationResponse {
+        export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
@@ -2260,20 +2257,6 @@ export namespace LibraryScreenStopResponse {
            */
           value: string;
         }
-
-        export interface SmilesModificationResponse {
-          /**
-           * 0-based index of the residue to modify
-           */
-          residue_index: number;
-
-          type: 'smiles';
-
-          /**
-           * SMILES string for the modification
-           */
-          value: string;
-        }
       }
 
       /**
@@ -2999,11 +2982,11 @@ export namespace LibraryScreenEstimateCostParams {
        * Post-translational modifications. Optional; defaults to an empty list when
        * omitted.
        */
-      modifications?: Array<Entity.CcdModification | Entity.SmilesModification>;
+      modifications?: Array<Entity.Modification>;
     }
 
     export namespace Entity {
-      export interface CcdModification {
+      export interface Modification {
         /**
          * 0-based index of the residue to modify
          */
@@ -3017,20 +3000,6 @@ export namespace LibraryScreenEstimateCostParams {
          */
         value: string;
       }
-
-      export interface SmilesModification {
-        /**
-         * 0-based index of the residue to modify
-         */
-        residue_index: number;
-
-        type: 'smiles';
-
-        /**
-         * SMILES string for the modification
-         */
-        value: string;
-      }
     }
 
     /**
@@ -3703,11 +3672,11 @@ export namespace LibraryScreenStartParams {
        * Post-translational modifications. Optional; defaults to an empty list when
        * omitted.
        */
-      modifications?: Array<Entity.CcdModification | Entity.SmilesModification>;
+      modifications?: Array<Entity.Modification>;
     }
 
     export namespace Entity {
-      export interface CcdModification {
+      export interface Modification {
         /**
          * 0-based index of the residue to modify
          */
@@ -3721,20 +3690,6 @@ export namespace LibraryScreenStartParams {
          */
         value: string;
       }
-
-      export interface SmilesModification {
-        /**
-         * 0-based index of the residue to modify
-         */
-        residue_index: number;
-
-        type: 'smiles';
-
-        /**
-         * SMILES string for the modification
-         */
-        value: string;
-      }
     }
 
     /**

package/src/version.ts

@@ -1 +1 @@
-export const VERSION = '0.30.4'; // x-release-please-version
+export const VERSION = '0.35.3'; // x-release-please-version

package/uploads.d.mts

@@ -1,2 +1,3 @@
+/** @deprecated Import from ./core/uploads instead */
 export * from "./core/uploads.mjs";
 //# sourceMappingURL=uploads.d.mts.map

package/uploads.d.mts.map

@@ -1 +1 @@
-{"version":3,"file":"uploads.d.mts","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":""}
+{"version":3,"file":"uploads.d.mts","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":"AAAA,qDAAqD;AACrD,mCAA+B"}

package/uploads.d.ts

@@ -1,2 +1,3 @@
+/** @deprecated Import from ./core/uploads instead */
 export * from "./core/uploads.js";
 //# sourceMappingURL=uploads.d.ts.map

package/uploads.d.ts.map

@@ -1 +1 @@
-{"version":3,"file":"uploads.d.ts","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":""}
+{"version":3,"file":"uploads.d.ts","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":"AAAA,qDAAqD;AACrD,kCAA+B"}

package/uploads.mjs

@@ -1,2 +1,3 @@
+/** @deprecated Import from ./core/uploads instead */
 export * from "./core/uploads.mjs";
 //# sourceMappingURL=uploads.mjs.map

package/uploads.mjs.map

@@ -1 +1 @@
-{"version":3,"file":"uploads.mjs","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":""}
+{"version":3,"file":"uploads.mjs","sourceRoot":"","sources":["src/uploads.ts"],"names":[],"mappings":"AAAA,qDAAqD;AACrD,mCAA+B"}

package/version.d.mts

@@ -1,2 +1,2 @@
-export declare const VERSION = "0.30.4";
+export declare const VERSION = "0.35.3";
 //# sourceMappingURL=version.d.mts.map

package/version.d.ts

@@ -1,2 +1,2 @@
-export declare const VERSION = "0.30.4";
+export declare const VERSION = "0.35.3";
 //# 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 = '0.30.4'; // x-release-please-version
+exports.VERSION = '0.35.3'; // x-release-please-version
 //# sourceMappingURL=version.js.map

package/version.mjs

@@ -1,2 +1,2 @@
-export const VERSION = '0.30.4'; // x-release-please-version
+export const VERSION = '0.35.3'; // x-release-please-version
 //# sourceMappingURL=version.mjs.map