npm - boltz-api - Versions diffs - 0.35.2 → 0.35.3 - Mend

boltz-api 0.35.2 → 0.35.3

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.

Files changed (32) hide show

package/CHANGELOG.md +8 -0
package/package.json +1 -1
package/resources/predictions/structure-and-binding.d.mts +24 -156
package/resources/predictions/structure-and-binding.d.mts.map +1 -1
package/resources/predictions/structure-and-binding.d.ts +24 -156
package/resources/predictions/structure-and-binding.d.ts.map +1 -1
package/resources/protein/design.d.mts +76 -494
package/resources/protein/design.d.mts.map +1 -1
package/resources/protein/design.d.ts +76 -494
package/resources/protein/design.d.ts.map +1 -1
package/resources/protein/library-screen.d.mts +48 -312
package/resources/protein/library-screen.d.mts.map +1 -1
package/resources/protein/library-screen.d.ts +48 -312
package/resources/protein/library-screen.d.ts.map +1 -1
package/resources/small-molecule/design.d.mts +10 -65
package/resources/small-molecule/design.d.mts.map +1 -1
package/resources/small-molecule/design.d.ts +10 -65
package/resources/small-molecule/design.d.ts.map +1 -1
package/resources/small-molecule/library-screen.d.mts +10 -65
package/resources/small-molecule/library-screen.d.mts.map +1 -1
package/resources/small-molecule/library-screen.d.ts +10 -65
package/resources/small-molecule/library-screen.d.ts.map +1 -1
package/src/resources/predictions/structure-and-binding.ts +24 -204
package/src/resources/protein/design.ts +76 -656
package/src/resources/protein/library-screen.ts +48 -402
package/src/resources/small-molecule/design.ts +10 -80
package/src/resources/small-molecule/library-screen.ts +10 -80
package/src/version.ts +1 -1
package/version.d.mts +1 -1
package/version.d.ts +1 -1
package/version.js +1 -1
package/version.mjs +1 -1

package/resources/protein/library-screen.d.mts CHANGED Viewed

@@ -344,10 +344,10 @@ export declare namespace LibraryScreenRetrieveResponse {
                  * 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
                      */
@@ -359,17 +359,6 @@ export declare namespace LibraryScreenRetrieveResponse {
                      */
                     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 {
                 /**
@@ -388,10 +377,10 @@ export declare namespace LibraryScreenRetrieveResponse {
                 /**
                  * 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
                      */
@@ -403,17 +392,6 @@ export declare namespace LibraryScreenRetrieveResponse {
                      */
                     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 {
                 /**
@@ -432,10 +410,10 @@ export declare namespace LibraryScreenRetrieveResponse {
                 /**
                  * 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
                      */
@@ -447,17 +425,6 @@ export declare namespace LibraryScreenRetrieveResponse {
                      */
                     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 {
                 /**
@@ -884,10 +851,10 @@ export declare namespace LibraryScreenListResultsResponse {
          * 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
              */
@@ -899,17 +866,6 @@ export declare namespace LibraryScreenListResultsResponse {
              */
             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 {
         /**
@@ -928,10 +884,10 @@ export declare namespace LibraryScreenListResultsResponse {
         /**
          * 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
              */
@@ -943,17 +899,6 @@ export declare namespace LibraryScreenListResultsResponse {
              */
             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 {
         /**
@@ -972,10 +917,10 @@ export declare namespace LibraryScreenListResultsResponse {
         /**
          * 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
              */
@@ -987,17 +932,6 @@ export declare namespace LibraryScreenListResultsResponse {
              */
             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 {
         /**
@@ -1275,10 +1209,10 @@ export declare namespace LibraryScreenStartResponse {
                  * 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
                      */
@@ -1290,17 +1224,6 @@ export declare namespace LibraryScreenStartResponse {
                      */
                     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 {
                 /**
@@ -1319,10 +1242,10 @@ export declare namespace LibraryScreenStartResponse {
                 /**
                  * 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
                      */
@@ -1334,17 +1257,6 @@ export declare namespace LibraryScreenStartResponse {
                      */
                     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 {
                 /**
@@ -1363,10 +1275,10 @@ export declare namespace LibraryScreenStartResponse {
                 /**
                  * 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
                      */
@@ -1378,17 +1290,6 @@ export declare namespace LibraryScreenStartResponse {
                      */
                     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 {
                 /**
@@ -1826,10 +1727,10 @@ export declare namespace LibraryScreenStopResponse {
                  * 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
                      */
@@ -1841,17 +1742,6 @@ export declare namespace LibraryScreenStopResponse {
                      */
                     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 {
                 /**
@@ -1870,10 +1760,10 @@ export declare namespace LibraryScreenStopResponse {
                 /**
                  * 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
                      */
@@ -1885,17 +1775,6 @@ export declare namespace LibraryScreenStopResponse {
                      */
                     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 {
                 /**
@@ -1914,10 +1793,10 @@ export declare namespace LibraryScreenStopResponse {
                 /**
                  * 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
                      */
@@ -1929,17 +1808,6 @@ export declare namespace LibraryScreenStopResponse {
                      */
                     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 {
                 /**
@@ -2238,10 +2106,10 @@ export declare namespace LibraryScreenEstimateCostParams {
              * 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
                  */
@@ -2253,17 +2121,6 @@ export declare namespace LibraryScreenEstimateCostParams {
                  */
                 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 {
             /**
@@ -2282,10 +2139,10 @@ export declare namespace LibraryScreenEstimateCostParams {
             /**
              * 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
                  */
@@ -2297,17 +2154,6 @@ export declare namespace LibraryScreenEstimateCostParams {
                  */
                 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 {
             /**
@@ -2326,10 +2172,10 @@ export declare namespace LibraryScreenEstimateCostParams {
             /**
              * 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
                  */
@@ -2341,17 +2187,6 @@ export declare namespace LibraryScreenEstimateCostParams {
                  */
                 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 {
             /**
@@ -2509,10 +2344,10 @@ export declare namespace LibraryScreenEstimateCostParams {
              * 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
                  */
@@ -2524,17 +2359,6 @@ export declare namespace LibraryScreenEstimateCostParams {
                  */
                 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 {
             /**
@@ -2553,10 +2377,10 @@ export declare namespace LibraryScreenEstimateCostParams {
             /**
              * 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
                  */
@@ -2568,17 +2392,6 @@ export declare namespace LibraryScreenEstimateCostParams {
                  */
                 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 {
             /**
@@ -2597,10 +2410,10 @@ export declare namespace LibraryScreenEstimateCostParams {
             /**
              * 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
                  */
@@ -2612,17 +2425,6 @@ export declare namespace LibraryScreenEstimateCostParams {
                  */
                 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 {
             /**
@@ -2894,10 +2696,10 @@ export declare namespace LibraryScreenStartParams {
              * 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
                  */
@@ -2909,17 +2711,6 @@ export declare namespace LibraryScreenStartParams {
                  */
                 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 {
             /**
@@ -2938,10 +2729,10 @@ export declare namespace LibraryScreenStartParams {
             /**
              * 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
                  */
@@ -2953,17 +2744,6 @@ export declare namespace LibraryScreenStartParams {
                  */
                 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 {
             /**
@@ -2982,10 +2762,10 @@ export declare namespace LibraryScreenStartParams {
             /**
              * 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
                  */
@@ -2997,17 +2777,6 @@ export declare namespace LibraryScreenStartParams {
                  */
                 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 {
             /**
@@ -3165,10 +2934,10 @@ export declare namespace LibraryScreenStartParams {
              * 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
                  */
@@ -3180,17 +2949,6 @@ export declare namespace LibraryScreenStartParams {
                  */
                 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 {
             /**
@@ -3209,10 +2967,10 @@ export declare namespace LibraryScreenStartParams {
             /**
              * 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
                  */
@@ -3224,17 +2982,6 @@ export declare namespace LibraryScreenStartParams {
                  */
                 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 {
             /**
@@ -3253,10 +3000,10 @@ export declare namespace LibraryScreenStartParams {
             /**
              * 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
                  */
@@ -3268,17 +3015,6 @@ export declare namespace LibraryScreenStartParams {
                  */
                 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 {
             /**