boltz-api 0.39.2 → 0.40.0

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

@@ -344,19 +344,26 @@ export namespace DesignRetrieveResponse {
         cyclic?: boolean;
 
         /**
-         * Post-translational modifications. Optional; defaults to an empty list when
-         * omitted.
+         * CCD post-translational modifications. Optional; defaults to an empty list when
+         * omitted. SMILES modifications are not supported.
          */
         modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
+        /**
+         * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+         * are not accepted.
+         */
         export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
           residue_index: number;
 
+          /**
+           * Modification format. Only CCD polymer modifications are supported.
+           */
           type: 'ccd';
 
           /**
@@ -941,6 +948,18 @@ export 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;
   }
 }
 
@@ -1032,6 +1051,18 @@ export 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;
   }
 }
 
@@ -1427,19 +1458,26 @@ export namespace DesignStartResponse {
         cyclic?: boolean;
 
         /**
-         * Post-translational modifications. Optional; defaults to an empty list when
-         * omitted.
+         * CCD post-translational modifications. Optional; defaults to an empty list when
+         * omitted. SMILES modifications are not supported.
          */
         modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
+        /**
+         * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+         * are not accepted.
+         */
         export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
           residue_index: number;
 
+          /**
+           * Modification format. Only CCD polymer modifications are supported.
+           */
           type: 'ccd';
 
           /**
@@ -2024,6 +2062,18 @@ export 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;
   }
 }
 
@@ -2210,19 +2260,26 @@ export namespace DesignStopResponse {
         cyclic?: boolean;
 
         /**
-         * Post-translational modifications. Optional; defaults to an empty list when
-         * omitted.
+         * CCD post-translational modifications. Optional; defaults to an empty list when
+         * omitted. SMILES modifications are not supported.
          */
         modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
+        /**
+         * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+         * are not accepted.
+         */
         export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
           residue_index: number;
 
+          /**
+           * Modification format. Only CCD polymer modifications are supported.
+           */
           type: 'ccd';
 
           /**
@@ -2807,6 +2864,18 @@ export 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;
   }
 }
 
@@ -2929,19 +2998,26 @@ export namespace DesignEstimateCostParams {
       cyclic?: boolean;
 
       /**
-       * Post-translational modifications. Optional; defaults to an empty list when
-       * omitted.
+       * CCD post-translational modifications. Optional; defaults to an empty list when
+       * omitted. SMILES modifications are not supported.
        */
       modifications?: Array<Entity.Modification>;
     }
 
     export namespace Entity {
+      /**
+       * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+       * are not accepted.
+       */
       export interface Modification {
         /**
          * 0-based index of the residue to modify
          */
         residue_index: number;
 
+        /**
+         * Modification format. Only CCD polymer modifications are supported.
+         */
         type: 'ccd';
 
         /**
@@ -3617,19 +3693,26 @@ export namespace DesignStartParams {
       cyclic?: boolean;
 
       /**
-       * Post-translational modifications. Optional; defaults to an empty list when
-       * omitted.
+       * CCD post-translational modifications. Optional; defaults to an empty list when
+       * omitted. SMILES modifications are not supported.
        */
       modifications?: Array<Entity.Modification>;
     }
 
     export namespace Entity {
+      /**
+       * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+       * are not accepted.
+       */
       export interface Modification {
         /**
          * 0-based index of the residue to modify
          */
         residue_index: number;
 
+        /**
+         * Modification format. Only CCD polymer modifications are supported.
+         */
         type: 'ccd';
 
         /**

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

@@ -334,19 +334,26 @@ export namespace LibraryScreenRetrieveResponse {
         cyclic?: boolean;
 
         /**
-         * Post-translational modifications. Optional; defaults to an empty list when
-         * omitted.
+         * CCD post-translational modifications. Optional; defaults to an empty list when
+         * omitted. SMILES modifications are not supported.
          */
         modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
+        /**
+         * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+         * are not accepted.
+         */
         export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
           residue_index: number;
 
+          /**
+           * Modification format. Only CCD polymer modifications are supported.
+           */
           type: 'ccd';
 
           /**
@@ -1458,19 +1465,26 @@ export namespace LibraryScreenStartResponse {
         cyclic?: boolean;
 
         /**
-         * Post-translational modifications. Optional; defaults to an empty list when
-         * omitted.
+         * CCD post-translational modifications. Optional; defaults to an empty list when
+         * omitted. SMILES modifications are not supported.
          */
         modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
+        /**
+         * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+         * are not accepted.
+         */
         export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
           residue_index: number;
 
+          /**
+           * Modification format. Only CCD polymer modifications are supported.
+           */
           type: 'ccd';
 
           /**
@@ -2255,19 +2269,26 @@ export namespace LibraryScreenStopResponse {
         cyclic?: boolean;
 
         /**
-         * Post-translational modifications. Optional; defaults to an empty list when
-         * omitted.
+         * CCD post-translational modifications. Optional; defaults to an empty list when
+         * omitted. SMILES modifications are not supported.
          */
         modifications?: Array<Entity.Modification>;
       }
 
       export namespace Entity {
+        /**
+         * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+         * are not accepted.
+         */
         export interface Modification {
           /**
            * 0-based index of the residue to modify
            */
           residue_index: number;
 
+          /**
+           * Modification format. Only CCD polymer modifications are supported.
+           */
           type: 'ccd';
 
           /**
@@ -3004,19 +3025,26 @@ export namespace LibraryScreenEstimateCostParams {
       cyclic?: boolean;
 
       /**
-       * Post-translational modifications. Optional; defaults to an empty list when
-       * omitted.
+       * CCD post-translational modifications. Optional; defaults to an empty list when
+       * omitted. SMILES modifications are not supported.
        */
       modifications?: Array<Entity.Modification>;
     }
 
     export namespace Entity {
+      /**
+       * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+       * are not accepted.
+       */
       export interface Modification {
         /**
          * 0-based index of the residue to modify
          */
         residue_index: number;
 
+        /**
+         * Modification format. Only CCD polymer modifications are supported.
+         */
         type: 'ccd';
 
         /**
@@ -3700,19 +3728,26 @@ export namespace LibraryScreenStartParams {
       cyclic?: boolean;
 
       /**
-       * Post-translational modifications. Optional; defaults to an empty list when
-       * omitted.
+       * CCD post-translational modifications. Optional; defaults to an empty list when
+       * omitted. SMILES modifications are not supported.
        */
       modifications?: Array<Entity.Modification>;
     }
 
     export namespace Entity {
+      /**
+       * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+       * are not accepted.
+       */
       export interface Modification {
         /**
          * 0-based index of the residue to modify
          */
         residue_index: number;
 
+        /**
+         * Modification format. Only CCD polymer modifications are supported.
+         */
         type: 'ccd';
 
         /**

package/src/version.ts

@@ -1 +1 @@
-export const VERSION = '0.39.2'; // x-release-please-version
+export const VERSION = '0.40.0'; // x-release-please-version

package/version.d.mts

@@ -1,2 +1,2 @@
-export declare const VERSION = "0.39.2";
+export declare const VERSION = "0.40.0";
 //# sourceMappingURL=version.d.mts.map

package/version.d.ts

@@ -1,2 +1,2 @@
-export declare const VERSION = "0.39.2";
+export declare const VERSION = "0.40.0";
 //# 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 = '0.39.2'; // x-release-please-version
+exports.VERSION = '0.40.0'; // x-release-please-version
 //# sourceMappingURL=version.js.map

package/version.mjs

@@ -1,2 +1,2 @@
-export const VERSION = '0.39.2'; // x-release-please-version
+export const VERSION = '0.40.0'; // x-release-please-version
 //# sourceMappingURL=version.mjs.map