boltz-api 0.35.2 → 0.36.0

package/CHANGELOG.md

@@ -1,5 +1,21 @@
 # Changelog
 
+## 0.36.0 (2026-05-25)
+
+Full Changelog: [v0.35.3...v0.36.0](https://github.com/boltz-bio/boltz-api-typescript/compare/v0.35.3...v0.36.0)
+
+### Features
+
+* **compute-api:** add small molecule structure templates ([87ea262](https://github.com/boltz-bio/boltz-api-typescript/commit/87ea262cced5ad0043fdb45dcebe2228f05c5fcc))
+
+## 0.35.3 (2026-05-22)
+
+Full Changelog: [v0.35.2...v0.35.3](https://github.com/boltz-bio/boltz-api-typescript/compare/v0.35.2...v0.35.3)
+
+### Bug Fixes
+
+* **compute-api:** reject idempotency key input mismatches ([1fd0e92](https://github.com/boltz-bio/boltz-api-typescript/commit/1fd0e926a01630bba544097f49c2a42406a804a3))
+
 ## 0.35.2 (2026-05-20)
 
 Full Changelog: [v0.35.1...v0.35.2](https://github.com/boltz-bio/boltz-api-typescript/compare/v0.35.1...v0.35.2)

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "boltz-api",
-  "version": "0.35.2",
+  "version": "0.36.0",
   "description": "The official TypeScript library for the Boltz API",
   "author": "Boltz <contact@boltz.bio>",
   "types": "./index.d.ts",

package/resources/predictions/structure-and-binding.d.mts

@@ -206,10 +206,10 @@ export declare namespace StructureAndBindingRetrieveResponse {
              * Post-translational modifications. Optional; defaults to an empty list when
              * omitted.
              */
-            modifications?: Array<ProteinEntityResponse.CcdModificationResponse | ProteinEntityResponse.SmilesModificationResponse>;
+            modifications?: Array<ProteinEntityResponse.Modification>;
         }
         namespace ProteinEntityResponse {
-            interface CcdModificationResponse {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -221,17 +221,6 @@ export declare namespace StructureAndBindingRetrieveResponse {
                  */
                 value: string;
             }
-            interface SmilesModificationResponse {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface RnaEntityResponse {
             /**
@@ -250,10 +239,10 @@ export declare namespace StructureAndBindingRetrieveResponse {
             /**
              * Chemical modifications. Optional; defaults to an empty list when omitted.
              */
-            modifications?: Array<RnaEntityResponse.CcdModificationResponse | RnaEntityResponse.SmilesModificationResponse>;
+            modifications?: Array<RnaEntityResponse.Modification>;
         }
         namespace RnaEntityResponse {
-            interface CcdModificationResponse {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -265,17 +254,6 @@ export declare namespace StructureAndBindingRetrieveResponse {
                  */
                 value: string;
             }
-            interface SmilesModificationResponse {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface DnaEntityResponse {
             /**
@@ -294,10 +272,10 @@ export declare namespace StructureAndBindingRetrieveResponse {
             /**
              * Chemical modifications. Optional; defaults to an empty list when omitted.
              */
-            modifications?: Array<DnaEntityResponse.CcdModificationResponse | DnaEntityResponse.SmilesModificationResponse>;
+            modifications?: Array<DnaEntityResponse.Modification>;
         }
         namespace DnaEntityResponse {
-            interface CcdModificationResponse {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -309,17 +287,6 @@ export declare namespace StructureAndBindingRetrieveResponse {
                  */
                 value: string;
             }
-            interface SmilesModificationResponse {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface LigandCcdEntityResponse {
             /**
@@ -547,6 +514,11 @@ export declare namespace StructureAndBindingRetrieveResponse {
             }
         }
         interface ModelOptions {
+            /**
+             * Use the provided pocket constraint as input conditioning during affinity
+             * prediction.
+             */
+            enable_pocket_conditioning?: boolean;
             /**
              * The number of recycling steps to use for prediction. Default is 3.
              */
@@ -936,10 +908,10 @@ export declare namespace StructureAndBindingStartResponse {
              * Post-translational modifications. Optional; defaults to an empty list when
              * omitted.
              */
-            modifications?: Array<ProteinEntityResponse.CcdModificationResponse | ProteinEntityResponse.SmilesModificationResponse>;
+            modifications?: Array<ProteinEntityResponse.Modification>;
         }
         namespace ProteinEntityResponse {
-            interface CcdModificationResponse {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -951,17 +923,6 @@ export declare namespace StructureAndBindingStartResponse {
                  */
                 value: string;
             }
-            interface SmilesModificationResponse {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface RnaEntityResponse {
             /**
@@ -980,10 +941,10 @@ export declare namespace StructureAndBindingStartResponse {
             /**
              * Chemical modifications. Optional; defaults to an empty list when omitted.
              */
-            modifications?: Array<RnaEntityResponse.CcdModificationResponse | RnaEntityResponse.SmilesModificationResponse>;
+            modifications?: Array<RnaEntityResponse.Modification>;
         }
         namespace RnaEntityResponse {
-            interface CcdModificationResponse {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -995,17 +956,6 @@ export declare namespace StructureAndBindingStartResponse {
                  */
                 value: string;
             }
-            interface SmilesModificationResponse {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface DnaEntityResponse {
             /**
@@ -1024,10 +974,10 @@ export declare namespace StructureAndBindingStartResponse {
             /**
              * Chemical modifications. Optional; defaults to an empty list when omitted.
              */
-            modifications?: Array<DnaEntityResponse.CcdModificationResponse | DnaEntityResponse.SmilesModificationResponse>;
+            modifications?: Array<DnaEntityResponse.Modification>;
         }
         namespace DnaEntityResponse {
-            interface CcdModificationResponse {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -1039,17 +989,6 @@ export declare namespace StructureAndBindingStartResponse {
                  */
                 value: string;
             }
-            interface SmilesModificationResponse {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface LigandCcdEntityResponse {
             /**
@@ -1277,6 +1216,11 @@ export declare namespace StructureAndBindingStartResponse {
             }
         }
         interface ModelOptions {
+            /**
+             * Use the provided pocket constraint as input conditioning during affinity
+             * prediction.
+             */
+            enable_pocket_conditioning?: boolean;
             /**
              * The number of recycling steps to use for prediction. Default is 3.
              */
@@ -1517,10 +1461,10 @@ export declare namespace StructureAndBindingEstimateCostParams {
              * Post-translational modifications. Optional; defaults to an empty list when
              * omitted.
              */
-            modifications?: Array<ProteinEntity.CcdModification | ProteinEntity.SmilesModification>;
+            modifications?: Array<ProteinEntity.Modification>;
         }
         namespace ProteinEntity {
-            interface CcdModification {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -1532,17 +1476,6 @@ export declare namespace StructureAndBindingEstimateCostParams {
                  */
                 value: string;
             }
-            interface SmilesModification {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface RnaEntity {
             /**
@@ -1561,10 +1494,10 @@ export declare namespace StructureAndBindingEstimateCostParams {
             /**
              * Chemical modifications. Optional; defaults to an empty list when omitted.
              */
-            modifications?: Array<RnaEntity.CcdModification | RnaEntity.SmilesModification>;
+            modifications?: Array<RnaEntity.Modification>;
         }
         namespace RnaEntity {
-            interface CcdModification {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -1576,17 +1509,6 @@ export declare namespace StructureAndBindingEstimateCostParams {
                  */
                 value: string;
             }
-            interface SmilesModification {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface DnaEntity {
             /**
@@ -1605,10 +1527,10 @@ export declare namespace StructureAndBindingEstimateCostParams {
             /**
              * Chemical modifications. Optional; defaults to an empty list when omitted.
              */
-            modifications?: Array<DnaEntity.CcdModification | DnaEntity.SmilesModification>;
+            modifications?: Array<DnaEntity.Modification>;
         }
         namespace DnaEntity {
-            interface CcdModification {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -1620,17 +1542,6 @@ export declare namespace StructureAndBindingEstimateCostParams {
                  */
                 value: string;
             }
-            interface SmilesModification {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface LigandCcdEntity {
             /**
@@ -1858,6 +1769,11 @@ export declare namespace StructureAndBindingEstimateCostParams {
             }
         }
         interface ModelOptions {
+            /**
+             * Use the provided pocket constraint as input conditioning during affinity
+             * prediction.
+             */
+            enable_pocket_conditioning?: boolean;
             /**
              * The number of recycling steps to use for prediction. Default is 3.
              */
@@ -1932,10 +1848,10 @@ export declare namespace StructureAndBindingStartParams {
              * Post-translational modifications. Optional; defaults to an empty list when
              * omitted.
              */
-            modifications?: Array<ProteinEntity.CcdModification | ProteinEntity.SmilesModification>;
+            modifications?: Array<ProteinEntity.Modification>;
         }
         namespace ProteinEntity {
-            interface CcdModification {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -1947,17 +1863,6 @@ export declare namespace StructureAndBindingStartParams {
                  */
                 value: string;
             }
-            interface SmilesModification {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface RnaEntity {
             /**
@@ -1976,10 +1881,10 @@ export declare namespace StructureAndBindingStartParams {
             /**
              * Chemical modifications. Optional; defaults to an empty list when omitted.
              */
-            modifications?: Array<RnaEntity.CcdModification | RnaEntity.SmilesModification>;
+            modifications?: Array<RnaEntity.Modification>;
         }
         namespace RnaEntity {
-            interface CcdModification {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -1991,17 +1896,6 @@ export declare namespace StructureAndBindingStartParams {
                  */
                 value: string;
             }
-            interface SmilesModification {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface DnaEntity {
             /**
@@ -2020,10 +1914,10 @@ export declare namespace StructureAndBindingStartParams {
             /**
              * Chemical modifications. Optional; defaults to an empty list when omitted.
              */
-            modifications?: Array<DnaEntity.CcdModification | DnaEntity.SmilesModification>;
+            modifications?: Array<DnaEntity.Modification>;
         }
         namespace DnaEntity {
-            interface CcdModification {
+            interface Modification {
                 /**
                  * 0-based index of the residue to modify
                  */
@@ -2035,17 +1929,6 @@ export declare namespace StructureAndBindingStartParams {
                  */
                 value: string;
             }
-            interface SmilesModification {
-                /**
-                 * 0-based index of the residue to modify
-                 */
-                residue_index: number;
-                type: 'smiles';
-                /**
-                 * SMILES string for the modification
-                 */
-                value: string;
-            }
         }
         interface LigandCcdEntity {
             /**
@@ -2273,6 +2156,11 @@ export declare namespace StructureAndBindingStartParams {
             }
         }
         interface ModelOptions {
+            /**
+             * Use the provided pocket constraint as input conditioning during affinity
+             * prediction.
+             */
+            enable_pocket_conditioning?: boolean;
             /**
              * The number of recycling steps to use for prediction. Default is 3.
              */

package/resources/predictions/structure-and-binding.d.mts.map

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