boltz-api 0.39.2 → 0.40.0

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

@@ -264,17 +264,24 @@ export declare 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>;
             }
             namespace Entity {
+                /**
+                 * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+                 * are not accepted.
+                 */
                 interface Modification {
                     /**
                      * 0-based index of the residue to modify
                      */
                     residue_index: number;
+                    /**
+                     * Modification format. Only CCD polymer modifications are supported.
+                     */
                     type: 'ccd';
                     /**
                      * CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
@@ -750,6 +757,16 @@ 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;
     }
 }
 /**
@@ -821,6 +838,16 @@ 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 {
@@ -1142,17 +1169,24 @@ export declare 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>;
             }
             namespace Entity {
+                /**
+                 * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+                 * are not accepted.
+                 */
                 interface Modification {
                     /**
                      * 0-based index of the residue to modify
                      */
                     residue_index: number;
+                    /**
+                     * Modification format. Only CCD polymer modifications are supported.
+                     */
                     type: 'ccd';
                     /**
                      * CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
@@ -1628,6 +1662,16 @@ 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;
     }
 }
 /**
@@ -1781,17 +1825,24 @@ export declare 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>;
             }
             namespace Entity {
+                /**
+                 * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+                 * are not accepted.
+                 */
                 interface Modification {
                     /**
                      * 0-based index of the residue to modify
                      */
                     residue_index: number;
+                    /**
+                     * Modification format. Only CCD polymer modifications are supported.
+                     */
                     type: 'ccd';
                     /**
                      * CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
@@ -2267,6 +2318,16 @@ 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 {
@@ -2372,17 +2433,24 @@ export declare 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>;
         }
         namespace Entity {
+            /**
+             * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+             * are not accepted.
+             */
             interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
                 residue_index: number;
+                /**
+                 * Modification format. Only CCD polymer modifications are supported.
+                 */
                 type: 'ccd';
                 /**
                  * CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
@@ -2940,17 +3008,24 @@ export declare 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>;
         }
         namespace Entity {
+            /**
+             * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+             * are not accepted.
+             */
             interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
                 residue_index: number;
+                /**
+                 * Modification format. Only CCD polymer modifications are supported.
+                 */
                 type: 'ccd';
                 /**
                  * CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for

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

@@ -254,17 +254,24 @@ export declare 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>;
             }
             namespace Entity {
+                /**
+                 * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+                 * are not accepted.
+                 */
                 interface Modification {
                     /**
                      * 0-based index of the residue to modify
                      */
                     residue_index: number;
+                    /**
+                     * Modification format. Only CCD polymer modifications are supported.
+                     */
                     type: 'ccd';
                     /**
                      * CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
@@ -1165,17 +1172,24 @@ export declare 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>;
             }
             namespace Entity {
+                /**
+                 * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+                 * are not accepted.
+                 */
                 interface Modification {
                     /**
                      * 0-based index of the residue to modify
                      */
                     residue_index: number;
+                    /**
+                     * Modification format. Only CCD polymer modifications are supported.
+                     */
                     type: 'ccd';
                     /**
                      * CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
@@ -1815,17 +1829,24 @@ export declare 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>;
             }
             namespace Entity {
+                /**
+                 * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+                 * are not accepted.
+                 */
                 interface Modification {
                     /**
                      * 0-based index of the residue to modify
                      */
                     residue_index: number;
+                    /**
+                     * Modification format. Only CCD polymer modifications are supported.
+                     */
                     type: 'ccd';
                     /**
                      * CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
@@ -2431,17 +2452,24 @@ export declare 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>;
         }
         namespace Entity {
+            /**
+             * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+             * are not accepted.
+             */
             interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
                 residue_index: number;
+                /**
+                 * Modification format. Only CCD polymer modifications are supported.
+                 */
                 type: 'ccd';
                 /**
                  * CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
@@ -3006,17 +3034,24 @@ export declare 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>;
         }
         namespace Entity {
+            /**
+             * Polymer residue modification. Only CCD codes are supported; SMILES modifications
+             * are not accepted.
+             */
             interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
                 residue_index: number;
+                /**
+                 * Modification format. Only CCD polymer modifications are supported.
+                 */
                 type: 'ccd';
                 /**
                  * CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for