boltz-api 0.37.0 → 0.38.0

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

@@ -186,6 +186,11 @@ export declare namespace StructureAndBindingRetrieveResponse {
          * Number of structure samples to generate
          */
         num_samples?: number;
+        /**
+         * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
+         * or PDB templates from HTTPS URLs or base64 uploads.
+         */
+        templates?: Array<Input.Template>;
     }
     namespace Input {
         interface ProteinEntityResponse {
@@ -514,11 +519,6 @@ 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.
              */
@@ -533,6 +533,41 @@ export declare namespace StructureAndBindingRetrieveResponse {
              */
             step_scale?: number;
         }
+        interface Template {
+            /**
+             * Template structure format. Base64 sources must use a matching media_type.
+             */
+            format: 'cif' | 'pdb';
+            source: Template.Source;
+            /**
+             * One query/template chain ID, or an ordered list of chain IDs.
+             */
+            chain_id?: string | Array<string>;
+            /**
+             * Force the template alignment within threshold.
+             */
+            force?: boolean;
+            /**
+             * One query/template chain ID, or an ordered list of chain IDs.
+             */
+            template_id?: string | Array<string>;
+            /**
+             * Distance threshold in angstroms used when force is true.
+             */
+            threshold?: number;
+        }
+        namespace Template {
+            interface Source {
+                /**
+                 * URL to download the file
+                 */
+                url: string;
+                /**
+                 * When the presigned URL expires
+                 */
+                url_expires_at: string;
+            }
+        }
     }
     /**
      * Prediction output when succeeded
@@ -888,6 +923,11 @@ export declare namespace StructureAndBindingStartResponse {
          * Number of structure samples to generate
          */
         num_samples?: number;
+        /**
+         * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
+         * or PDB templates from HTTPS URLs or base64 uploads.
+         */
+        templates?: Array<Input.Template>;
     }
     namespace Input {
         interface ProteinEntityResponse {
@@ -1216,11 +1256,6 @@ 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.
              */
@@ -1235,6 +1270,41 @@ export declare namespace StructureAndBindingStartResponse {
              */
             step_scale?: number;
         }
+        interface Template {
+            /**
+             * Template structure format. Base64 sources must use a matching media_type.
+             */
+            format: 'cif' | 'pdb';
+            source: Template.Source;
+            /**
+             * One query/template chain ID, or an ordered list of chain IDs.
+             */
+            chain_id?: string | Array<string>;
+            /**
+             * Force the template alignment within threshold.
+             */
+            force?: boolean;
+            /**
+             * One query/template chain ID, or an ordered list of chain IDs.
+             */
+            template_id?: string | Array<string>;
+            /**
+             * Distance threshold in angstroms used when force is true.
+             */
+            threshold?: number;
+        }
+        namespace Template {
+            interface Source {
+                /**
+                 * URL to download the file
+                 */
+                url: string;
+                /**
+                 * When the presigned URL expires
+                 */
+                url_expires_at: string;
+            }
+        }
     }
     /**
      * Prediction output when succeeded
@@ -1441,6 +1511,11 @@ export declare namespace StructureAndBindingEstimateCostParams {
          * Number of structure samples to generate
          */
         num_samples?: number;
+        /**
+         * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
+         * or PDB templates from HTTPS URLs or base64 uploads.
+         */
+        templates?: Array<Input.Template>;
     }
     namespace Input {
         interface ProteinEntity {
@@ -1769,11 +1844,6 @@ 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.
              */
@@ -1788,6 +1858,49 @@ export declare namespace StructureAndBindingEstimateCostParams {
              */
             step_scale?: number;
         }
+        interface Template {
+            /**
+             * Template structure format. Base64 sources must use a matching media_type.
+             */
+            format: 'cif' | 'pdb';
+            /**
+             * How to provide a file to the API
+             */
+            source: Template.URLSource | Template.Base64Source;
+            /**
+             * One query/template chain ID, or an ordered list of chain IDs.
+             */
+            chain_id?: string | Array<string>;
+            /**
+             * Force the template alignment within threshold.
+             */
+            force?: boolean;
+            /**
+             * One query/template chain ID, or an ordered list of chain IDs.
+             */
+            template_id?: string | Array<string>;
+            /**
+             * Distance threshold in angstroms used when force is true.
+             */
+            threshold?: number;
+        }
+        namespace Template {
+            interface URLSource {
+                type: 'url';
+                url: string;
+            }
+            interface Base64Source {
+                /**
+                 * Base64-encoded file contents
+                 */
+                data: string;
+                /**
+                 * MIME type (e.g., text/csv)
+                 */
+                media_type: string;
+                type: 'base64';
+            }
+        }
     }
 }
 export interface StructureAndBindingStartParams {
@@ -1828,6 +1941,11 @@ export declare namespace StructureAndBindingStartParams {
          * Number of structure samples to generate
          */
         num_samples?: number;
+        /**
+         * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
+         * or PDB templates from HTTPS URLs or base64 uploads.
+         */
+        templates?: Array<Input.Template>;
     }
     namespace Input {
         interface ProteinEntity {
@@ -2156,11 +2274,6 @@ 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.
              */
@@ -2175,6 +2288,49 @@ export declare namespace StructureAndBindingStartParams {
              */
             step_scale?: number;
         }
+        interface Template {
+            /**
+             * Template structure format. Base64 sources must use a matching media_type.
+             */
+            format: 'cif' | 'pdb';
+            /**
+             * How to provide a file to the API
+             */
+            source: Template.URLSource | Template.Base64Source;
+            /**
+             * One query/template chain ID, or an ordered list of chain IDs.
+             */
+            chain_id?: string | Array<string>;
+            /**
+             * Force the template alignment within threshold.
+             */
+            force?: boolean;
+            /**
+             * One query/template chain ID, or an ordered list of chain IDs.
+             */
+            template_id?: string | Array<string>;
+            /**
+             * Distance threshold in angstroms used when force is true.
+             */
+            threshold?: number;
+        }
+        namespace Template {
+            interface URLSource {
+                type: 'url';
+                url: string;
+            }
+            interface Base64Source {
+                /**
+                 * Base64-encoded file contents
+                 */
+                data: string;
+                /**
+                 * MIME type (e.g., text/csv)
+                 */
+                media_type: string;
+                type: 'base64';
+            }
+        }
     }
 }
 export declare namespace StructureAndBinding {

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

@@ -225,11 +225,6 @@ export declare namespace DesignRetrieveResponse {
              * currently support ligand_ccd only; ligand_smiles is unsupported.
              */
             constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
-            /**
-             * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
-             * while scoring candidate molecules. Defaults to false.
-             */
-            enable_pocket_conditioning?: boolean;
             /**
              * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
              * and the value is an array of 0-indexed residue indices that define the binding
@@ -1108,11 +1103,6 @@ export declare namespace DesignStartResponse {
              * currently support ligand_ccd only; ligand_smiles is unsupported.
              */
             constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
-            /**
-             * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
-             * while scoring candidate molecules. Defaults to false.
-             */
-            enable_pocket_conditioning?: boolean;
             /**
              * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
              * and the value is an array of 0-indexed residue indices that define the binding
@@ -1752,11 +1742,6 @@ export declare namespace DesignStopResponse {
              * currently support ligand_ccd only; ligand_smiles is unsupported.
              */
             constraints?: Array<Target.PocketConstraintResponse | Target.ContactConstraintResponse>;
-            /**
-             * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
-             * while scoring candidate molecules. Defaults to false.
-             */
-            enable_pocket_conditioning?: boolean;
             /**
              * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
              * and the value is an array of 0-indexed residue indices that define the binding
@@ -2348,11 +2333,6 @@ export declare namespace DesignEstimateCostParams {
          * currently support ligand_ccd only; ligand_smiles is unsupported.
          */
         constraints?: Array<Target.PocketConstraint | Target.ContactConstraint>;
-        /**
-         * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
-         * while scoring candidate molecules. Defaults to false.
-         */
-        enable_pocket_conditioning?: boolean;
         /**
          * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
          * and the value is an array of 0-indexed residue indices that define the binding
@@ -2921,11 +2901,6 @@ export declare namespace DesignStartParams {
          * currently support ligand_ccd only; ligand_smiles is unsupported.
          */
         constraints?: Array<Target.PocketConstraint | Target.ContactConstraint>;
-        /**
-         * When true, pocket_residues are also sent as a forced Boltz2 pocket constraint
-         * while scoring candidate molecules. Defaults to false.
-         */
-        enable_pocket_conditioning?: boolean;
         /**
          * Binding pocket residues, keyed by chain ID. Each key is a chain ID (e.g. "A")
          * and the value is an array of 0-indexed residue indices that define the binding

package/resources/small-molecule/design.d.mts.map

@@ -1 +1 @@
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