npm - boltz-api - Versions diffs - 0.35.3 → 0.36.0 - Mend

boltz-api 0.35.3 → 0.36.0

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 (22) hide show

package/CHANGELOG.md +8 -0
package/package.json +1 -1
package/resources/predictions/structure-and-binding.d.mts +20 -0
package/resources/predictions/structure-and-binding.d.mts.map +1 -1
package/resources/predictions/structure-and-binding.d.ts +20 -0
package/resources/predictions/structure-and-binding.d.ts.map +1 -1
package/resources/small-molecule/design.d.mts +60 -10
package/resources/small-molecule/design.d.mts.map +1 -1
package/resources/small-molecule/design.d.ts +60 -10
package/resources/small-molecule/design.d.ts.map +1 -1
package/resources/small-molecule/library-screen.d.mts +60 -10
package/resources/small-molecule/library-screen.d.mts.map +1 -1
package/resources/small-molecule/library-screen.d.ts +60 -10
package/resources/small-molecule/library-screen.d.ts.map +1 -1
package/src/resources/predictions/structure-and-binding.ts +24 -0
package/src/resources/small-molecule/design.ts +70 -10
package/src/resources/small-molecule/library-screen.ts +70 -10
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.mts.map CHANGED Viewed

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

@@ -182,7 +182,7 @@ export declare namespace DesignRetrieveResponse {
          */
         num_molecules: number;
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         target: Input.Target;
         /**
@@ -207,7 +207,7 @@ export declare namespace DesignRetrieveResponse {
     }
     namespace Input {
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         interface Target {
             /**
@@ -225,6 +225,11 @@ 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
@@ -242,6 +247,11 @@ export declare namespace DesignRetrieveResponse {
              * detection.
              */
             reference_ligands?: Array<string>;
+            /**
+             * Target is defined directly by protein sequences rather than a structure
+             * template.
+             */
+            type?: 'no_template';
         }
         namespace Target {
             interface Entity {
@@ -1055,7 +1065,7 @@ export declare namespace DesignStartResponse {
          */
         num_molecules: number;
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         target: Input.Target;
         /**
@@ -1080,7 +1090,7 @@ export declare namespace DesignStartResponse {
     }
     namespace Input {
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         interface Target {
             /**
@@ -1098,6 +1108,11 @@ 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
@@ -1115,6 +1130,11 @@ export declare namespace DesignStartResponse {
              * detection.
              */
             reference_ligands?: Array<string>;
+            /**
+             * Target is defined directly by protein sequences rather than a structure
+             * template.
+             */
+            type?: 'no_template';
         }
         namespace Target {
             interface Entity {
@@ -1689,7 +1709,7 @@ export declare namespace DesignStopResponse {
          */
         num_molecules: number;
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         target: Input.Target;
         /**
@@ -1714,7 +1734,7 @@ export declare namespace DesignStopResponse {
     }
     namespace Input {
         /**
-         * Target protein with binding pocket for small molecule design or screening
+         * Target protein sequences for small molecule design or screening.
          */
         interface Target {
             /**
@@ -1732,6 +1752,11 @@ 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
@@ -1749,6 +1774,11 @@ export declare namespace DesignStopResponse {
              * detection.
              */
             reference_ligands?: Array<string>;
+            /**
+             * Target is defined directly by protein sequences rather than a structure
+             * template.
+             */
+            type?: 'no_template';
         }
         namespace Target {
             interface Entity {
@@ -2275,7 +2305,7 @@ export interface DesignEstimateCostParams {
      */
     num_molecules: number;
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     target: DesignEstimateCostParams.Target;
     /**
@@ -2300,7 +2330,7 @@ export interface DesignEstimateCostParams {
 }
 export declare namespace DesignEstimateCostParams {
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     interface Target {
         /**
@@ -2318,6 +2348,11 @@ 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
@@ -2335,6 +2370,11 @@ export declare namespace DesignEstimateCostParams {
          * detection.
          */
         reference_ligands?: Array<string>;
+        /**
+         * Target is defined directly by protein sequences rather than a structure
+         * template.
+         */
+        type?: 'no_template';
     }
     namespace Target {
         interface Entity {
@@ -2838,7 +2878,7 @@ export interface DesignStartParams {
      */
     num_molecules: number;
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     target: DesignStartParams.Target;
     /**
@@ -2863,7 +2903,7 @@ export interface DesignStartParams {
 }
 export declare namespace DesignStartParams {
     /**
-     * Target protein with binding pocket for small molecule design or screening
+     * Target protein sequences for small molecule design or screening.
      */
     interface Target {
         /**
@@ -2881,6 +2921,11 @@ 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
@@ -2898,6 +2943,11 @@ export declare namespace DesignStartParams {
          * detection.
          */
         reference_ligands?: Array<string>;
+        /**
+         * Target is defined directly by protein sequences rather than a structure
+         * template.
+         */
+        type?: 'no_template';
     }
     namespace Target {
         interface Entity {

package/resources/small-molecule/design.d.ts.map CHANGED Viewed

	@@ -1 +1 @@
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