npm - boltz-api - Versions diffs - 0.39.3 → 0.41.0 - Mend

boltz-api 0.39.3 → 0.41.0

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 (17) hide show

package/CHANGELOG.md +16 -0
package/package.json +1 -1
package/resources/small-molecule/design.d.mts +80 -0
package/resources/small-molecule/design.d.mts.map +1 -1
package/resources/small-molecule/design.d.ts +80 -0
package/resources/small-molecule/design.d.ts.map +1 -1
package/resources/small-molecule/library-screen.d.mts +80 -0
package/resources/small-molecule/library-screen.d.mts.map +1 -1
package/resources/small-molecule/library-screen.d.ts +80 -0
package/resources/small-molecule/library-screen.d.ts.map +1 -1
package/src/resources/small-molecule/design.ts +100 -0
package/src/resources/small-molecule/library-screen.ts +100 -0
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/small-molecule/design.d.ts.map CHANGED Viewed

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

@@ -226,6 +226,12 @@ export declare namespace LibraryScreenRetrieveResponse {
             pocket_residues?: {
                 [key: string]: Array<number>;
             };
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
             /**
              * Reference ligands as SMILES strings that help the model identify the binding
              * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -468,6 +474,16 @@ export declare namespace LibraryScreenRetrieveResponse {
                     type: 'ligand_contact';
                 }
             }
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            interface PrecomputedAffinityPocket {
+                method: 'reference_ligands' | 'residue_ids';
+                pocket_file_url: string;
+                structure_file_url: string;
+            }
         }
         /**
          * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -1144,6 +1160,12 @@ export declare namespace LibraryScreenStartResponse {
             pocket_residues?: {
                 [key: string]: Array<number>;
             };
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
             /**
              * Reference ligands as SMILES strings that help the model identify the binding
              * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -1386,6 +1408,16 @@ export declare namespace LibraryScreenStartResponse {
                     type: 'ligand_contact';
                 }
             }
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            interface PrecomputedAffinityPocket {
+                method: 'reference_ligands' | 'residue_ids';
+                pocket_file_url: string;
+                structure_file_url: string;
+            }
         }
         /**
          * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -1801,6 +1833,12 @@ export declare namespace LibraryScreenStopResponse {
             pocket_residues?: {
                 [key: string]: Array<number>;
             };
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
             /**
              * Reference ligands as SMILES strings that help the model identify the binding
              * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -2043,6 +2081,16 @@ export declare namespace LibraryScreenStopResponse {
                     type: 'ligand_contact';
                 }
             }
+            /**
+             * Precomputed affinity-pocket artifacts for this target. When provided,
+             * small-molecule design/screen pipelines reuse this pocket and skip Compute
+             * affinity pocket search.
+             */
+            interface PrecomputedAffinityPocket {
+                method: 'reference_ligands' | 'residue_ids';
+                pocket_file_url: string;
+                structure_file_url: string;
+            }
         }
         /**
          * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -2424,6 +2472,12 @@ export declare namespace LibraryScreenEstimateCostParams {
         pocket_residues?: {
             [key: string]: Array<number>;
         };
+        /**
+         * Precomputed affinity-pocket artifacts for this target. When provided,
+         * small-molecule design/screen pipelines reuse this pocket and skip Compute
+         * affinity pocket search.
+         */
+        precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
         /**
          * Reference ligands as SMILES strings that help the model identify the binding
          * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -2666,6 +2720,16 @@ export declare namespace LibraryScreenEstimateCostParams {
                 type: 'ligand_contact';
             }
         }
+        /**
+         * Precomputed affinity-pocket artifacts for this target. When provided,
+         * small-molecule design/screen pipelines reuse this pocket and skip Compute
+         * affinity pocket search.
+         */
+        interface PrecomputedAffinityPocket {
+            method: 'reference_ligands' | 'residue_ids';
+            pocket_file_url: string;
+            structure_file_url: string;
+        }
     }
     /**
      * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering
@@ -3006,6 +3070,12 @@ export declare namespace LibraryScreenStartParams {
         pocket_residues?: {
             [key: string]: Array<number>;
         };
+        /**
+         * Precomputed affinity-pocket artifacts for this target. When provided,
+         * small-molecule design/screen pipelines reuse this pocket and skip Compute
+         * affinity pocket search.
+         */
+        precomputed_affinity_pocket?: Target.PrecomputedAffinityPocket;
         /**
          * Reference ligands as SMILES strings that help the model identify the binding
          * pocket. When omitted, a set of drug-like default ligands is used for pocket
@@ -3248,6 +3318,16 @@ export declare namespace LibraryScreenStartParams {
                 type: 'ligand_contact';
             }
         }
+        /**
+         * Precomputed affinity-pocket artifacts for this target. When provided,
+         * small-molecule design/screen pipelines reuse this pocket and skip Compute
+         * affinity pocket search.
+         */
+        interface PrecomputedAffinityPocket {
+            method: 'reference_ligands' | 'residue_ids';
+            pocket_file_url: string;
+            structure_file_url: string;
+        }
     }
     /**
      * Molecule filtering configuration. Controls both Boltz built-in SMARTS filtering

package/resources/small-molecule/library-screen.d.mts.map CHANGED Viewed

	@@ -1 +1 @@
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