emmet-builders 0.84.7rc4__py3-none-any.whl → 0.84.8__py3-none-any.whl

emmet/builders/molecules/electric.py

@@ -2,18 +2,17 @@ from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Optional, Iterable, Iterator, List, Dict
+from typing import Iterable, Iterator
 
 from maggma.builders import Builder
 from maggma.core import Store
 from maggma.utils import grouper
 
-from emmet.core.qchem.task import TaskDocument
-from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.builders.settings import EmmetBuildSettings
 from emmet.core.molecules.electric import ElectricMultipoleDoc
+from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import jsanitize
-from emmet.builders.settings import EmmetBuildSettings
-
 
 __author__ = "Evan Spotte-Smith"
 
@@ -41,8 +40,8 @@ class ElectricMultipoleBuilder(Builder):
         tasks: Store,
         molecules: Store,
         multipoles: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.tasks = tasks
@@ -89,7 +88,7 @@ class ElectricMultipoleBuilder(Builder):
         self.multipoles.ensure_index("last_updated")
         self.multipoles.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -115,7 +114,7 @@ class ElectricMultipoleBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into multipole documents.
         This does no datetime checking; relying on on whether
@@ -162,12 +161,12 @@ class ElectricMultipoleBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into ElectricMultipoleDocs
 
         Args:
-            tasks List[Dict] : a list of MoleculeDocs in dict form
+            tasks list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new electric multipole docs
@@ -250,7 +249,7 @@ class ElectricMultipoleBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in multipole_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new documents into the multipoles collection
 

emmet/builders/molecules/metal_binding.py

@@ -1,24 +1,22 @@
+import copy
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Optional, Iterable, Iterator, List, Dict
-import copy
-
-from pymatgen.core.structure import Molecule
-from pymatgen.util.graph_hashing import weisfeiler_lehman_graph_hash
+from typing import Iterable, Iterator
 
 from maggma.builders import Builder
 from maggma.core import Store
 from maggma.utils import grouper
+from pymatgen.core.structure import Molecule
+from pymatgen.util.graph_hashing import weisfeiler_lehman_graph_hash
 
-from emmet.core.qchem.molecule import MoleculeDoc
+from emmet.builders.settings import EmmetBuildSettings
 from emmet.core.molecules.atomic import PartialChargesDoc, PartialSpinsDoc
 from emmet.core.molecules.bonds import MoleculeBondingDoc, metals
+from emmet.core.molecules.metal_binding import METAL_BINDING_METHODS, MetalBindingDoc
 from emmet.core.molecules.thermo import MoleculeThermoDoc
-from emmet.core.molecules.metal_binding import MetalBindingDoc, METAL_BINDING_METHODS
+from emmet.core.qchem.molecule import MoleculeDoc
 from emmet.core.utils import jsanitize
-from emmet.builders.settings import EmmetBuildSettings
-
 
 __author__ = "Evan Spotte-Smith"
 
@@ -73,9 +71,9 @@ class MetalBindingBuilder(Builder):
         bonds: Store,
         thermo: Store,
         metal_binding: Store,
-        query: Optional[Dict] = None,
-        methods: Optional[List] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        methods: list | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.molecules = molecules
@@ -161,7 +159,7 @@ class MetalBindingBuilder(Builder):
         self.metal_binding.ensure_index("formula_alphabetical")
         self.metal_binding.ensure_index("method")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -187,7 +185,7 @@ class MetalBindingBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into metal_binding documents.
 
@@ -232,12 +230,12 @@ class MetalBindingBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process molecule, bonding, partial charges, partial spins, and thermo documents into MetalBindingDocs
 
         Args:
-            tasks List[Dict] : a list of MoleculeDocs in dict form
+            tasks list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new metal binding docs
@@ -491,7 +489,7 @@ class MetalBindingBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in binding_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new documents into the metal_binding collection
 

emmet/builders/molecules/orbitals.py

@@ -2,18 +2,17 @@ from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Optional, Iterable, Iterator, List, Dict
+from typing import Iterable, Iterator
 
 from maggma.builders import Builder
 from maggma.core import Store
 from maggma.utils import grouper
 
-from emmet.core.qchem.task import TaskDocument
-from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.builders.settings import EmmetBuildSettings
 from emmet.core.molecules.orbitals import OrbitalDoc
+from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import jsanitize
-from emmet.builders.settings import EmmetBuildSettings
-
 
 __author__ = "Evan Spotte-Smith"
 
@@ -40,8 +39,8 @@ class OrbitalBuilder(Builder):
         tasks: Store,
         molecules: Store,
         orbitals: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.tasks = tasks
@@ -87,7 +86,7 @@ class OrbitalBuilder(Builder):
         self.orbitals.ensure_index("last_updated")
         self.orbitals.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -113,7 +112,7 @@ class OrbitalBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into orbital documents.
         This does no datetime checking; relying on on whether
@@ -160,12 +159,12 @@ class OrbitalBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into a OrbitalDocs
 
         Args:
-            tasks List[Dict] : a list of MoleculeDocs in dict form
+            tasks list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new orbital docs
@@ -257,7 +256,7 @@ class OrbitalBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in orbital_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new documents into the orbitals collection
 

emmet/builders/molecules/redox.py

@@ -1,22 +1,21 @@
-from collections import defaultdict
 import copy
+from collections import defaultdict
 from datetime import datetime
 from itertools import chain, groupby
 from math import ceil
-from typing import Any, Dict, Iterable, Iterator, List, Optional, Union
+from typing import Any, Iterable, Iterator
 
 from maggma.builders import Builder
 from maggma.core import Store
 from maggma.utils import grouper
 
-from emmet.core.qchem.task import TaskDocument
-from emmet.core.qchem.molecule import MoleculeDoc
+from emmet.builders.settings import EmmetBuildSettings
 from emmet.core.molecules.bonds import metals
-from emmet.core.molecules.thermo import MoleculeThermoDoc
 from emmet.core.molecules.redox import RedoxDoc
+from emmet.core.molecules.thermo import MoleculeThermoDoc
+from emmet.core.qchem.molecule import MoleculeDoc
+from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import confirm_molecule, get_graph_hash, jsanitize
-from emmet.builders.settings import EmmetBuildSettings
-
 
 __author__ = "Evan Spotte-Smith"
 
@@ -51,8 +50,8 @@ class RedoxBuilder(Builder):
         molecules: Store,
         thermo: Store,
         redox: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.tasks = tasks
@@ -107,7 +106,7 @@ class RedoxBuilder(Builder):
         self.redox.ensure_index("last_updated")
         self.redox.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -133,7 +132,7 @@ class RedoxBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into redox documents.
         This does no datetime checking; relying on on whether
@@ -180,12 +179,12 @@ class RedoxBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into a RedoxDoc
 
         Args:
-            tasks List[Dict] : a list of MoleculeDocs in dict form
+            tasks list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new redox docs
@@ -203,7 +202,7 @@ class RedoxBuilder(Builder):
 
         for graph_group in group_by_graph.values():
             # Molecule docs will be grouped by charge
-            charges: Dict[int, Any] = dict()
+            charges: dict[int, Any] = dict()
 
             for gg in graph_group:
                 # First, grab relevant MoleculeThermoDocs and identify possible IE/EA single-points
@@ -360,7 +359,7 @@ class RedoxBuilder(Builder):
             [doc.model_dump() for doc in redox_docs if doc is not None], allow_bson=True
         )
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new documents into the orbitals collection
 
@@ -391,7 +390,7 @@ class RedoxBuilder(Builder):
             self.logger.info("No items to update")
 
     @staticmethod
-    def _group_by_graph(mol_docs: List[MoleculeDoc]) -> Dict[int, List[MoleculeDoc]]:
+    def _group_by_graph(mol_docs: list[MoleculeDoc]) -> dict[int, list[MoleculeDoc]]:
         """
         Group molecule docs by molecular graph connectivity
 
@@ -399,7 +398,7 @@ class RedoxBuilder(Builder):
         :return: Grouped molecule entries
         """
 
-        graph_hashes_nometal: List[str] = list()
+        graph_hashes_nometal: list[str] = list()
         results = defaultdict(list)
 
         # Within each group, group by the covalent molecular graph
@@ -430,10 +429,10 @@ class RedoxBuilder(Builder):
 
     @staticmethod
     def _collect_by_lot_solvent(
-        thermo_docs: List[MoleculeThermoDoc],
-        ie_docs: List[TaskDocument],
-        ea_docs: List[TaskDocument],
-    ) -> Dict[str, Any]:
+        thermo_docs: list[MoleculeThermoDoc],
+        ie_docs: list[TaskDocument],
+        ea_docs: list[TaskDocument],
+    ) -> dict[str, Any]:
         """
         For a given MoleculeDoc, group potential MoleculeThermoDocs and TaskDocs for
         IE/EA calculations based on level of theory and solvent.
@@ -452,7 +451,7 @@ class RedoxBuilder(Builder):
                  }
         """
 
-        def _lot_solv(doc: Union[MoleculeThermoDoc, TaskDocument]):
+        def _lot_solv(doc: MoleculeThermoDoc | TaskDocument):
             if isinstance(doc, MoleculeThermoDoc):
                 if doc.correction:
                     return doc.correction_lot_solvent

emmet/builders/molecules/summary.py

@@ -1,17 +1,17 @@
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Any, Optional, Iterable, Iterator, List, Dict
-
-# from monty.serialization import loadfn, dumpfn
+from typing import Any, Iterable, Iterator
 
 from maggma.builders import Builder
 from maggma.core import Store
 from maggma.utils import grouper
 
+from emmet.builders.settings import EmmetBuildSettings
 from emmet.core.molecules.summary import MoleculeSummaryDoc
 from emmet.core.utils import jsanitize
-from emmet.builders.settings import EmmetBuildSettings
+
+# from monty.serialization import loadfn, dumpfn
 
 
 __author__ = "Evan Spotte-Smith"
@@ -43,8 +43,8 @@ class SummaryBuilder(Builder):
         thermo: Store,
         vibes: Store,
         summary: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.molecules = molecules
@@ -198,7 +198,7 @@ class SummaryBuilder(Builder):
         self.summary.ensure_index("last_updated")
         self.summary.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -224,7 +224,7 @@ class SummaryBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into summary documents.
         This does no datetime checking; relying on on whether
@@ -271,20 +271,20 @@ class SummaryBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into a MoleculeSummaryDoc
 
         Args:
-            tasks List[Dict] : a list of MoleculeDocs in dict form
+            tasks list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new orbital docs
         """
 
-        def _group_docs(docs: List[Dict[str, Any]], by_method: bool = False):
+        def _group_docs(docs: list[dict[str, Any]], by_method: bool = False):
             """Helper function to group docs by solvent"""
-            grouped: Dict[str, Any] = dict()
+            grouped: dict[str, Any] = dict()
 
             for doc in docs:
                 solvent = doc.get("solvent")
@@ -367,7 +367,7 @@ class SummaryBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in summary_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new documents into the summary collection
 

emmet/builders/molecules/thermo.py

@@ -2,22 +2,20 @@ from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Optional, Iterable, Iterator, List, Dict
-
-from pymatgen.core.structure import Molecule
-from pymatgen.analysis.molecule_matcher import MoleculeMatcher
+from typing import Iterable, Iterator
 
 from maggma.builders import Builder
 from maggma.core import Store
 from maggma.utils import grouper
+from pymatgen.analysis.molecule_matcher import MoleculeMatcher
+from pymatgen.core.structure import Molecule
 
-from emmet.core.qchem.task import TaskDocument
-from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
-from emmet.core.molecules.thermo import get_free_energy, MoleculeThermoDoc
+from emmet.builders.settings import EmmetBuildSettings
+from emmet.core.molecules.thermo import MoleculeThermoDoc, get_free_energy
 from emmet.core.qchem.calc_types import TaskType
+from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import jsanitize
-from emmet.builders.settings import EmmetBuildSettings
-
 
 __author__ = "Evan Spotte-Smith"
 
@@ -119,8 +117,8 @@ class ThermoBuilder(Builder):
         tasks: Store,
         molecules: Store,
         thermo: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.tasks = tasks
@@ -166,7 +164,7 @@ class ThermoBuilder(Builder):
         self.thermo.ensure_index("last_updated")
         self.thermo.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -192,7 +190,7 @@ class ThermoBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into thermo documents.
         This does no datetime checking; relying on on whether
@@ -239,12 +237,12 @@ class ThermoBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into a MoleculeThermoDoc
 
         Args:
-            items List[dict] : a list of MoleculeDocs in dict form
+            items list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new thermo docs
@@ -469,7 +467,7 @@ class ThermoBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in thermo_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new thermo docs into the thermo collection
 

emmet/builders/molecules/trajectory.py

@@ -2,18 +2,17 @@ from collections import defaultdict
 from datetime import datetime
 from itertools import chain
 from math import ceil
-from typing import Optional, Iterable, Iterator, List, Dict
+from typing import Iterable, Iterator
 
 from maggma.builders import Builder
 from maggma.core import Store
 from maggma.utils import grouper
 
-from emmet.core.qchem.task import TaskDocument
-from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.builders.settings import EmmetBuildSettings
 from emmet.core.molecules.trajectory import ForcesDoc, TrajectoryDoc
+from emmet.core.qchem.molecule import MoleculeDoc, evaluate_lot
+from emmet.core.qchem.task import TaskDocument
 from emmet.core.utils import jsanitize
-from emmet.builders.settings import EmmetBuildSettings
-
 
 __author__ = "Evan Spotte-Smith"
 
@@ -41,8 +40,8 @@ class ForcesBuilder(Builder):
         tasks: Store,
         molecules: Store,
         forces: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.tasks = tasks
@@ -88,7 +87,7 @@ class ForcesBuilder(Builder):
         self.forces.ensure_index("last_updated")
         self.forces.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -114,7 +113,7 @@ class ForcesBuilder(Builder):
             query["species_hash"] = {"$in": list(hash_chunk)}
             yield {"query": query}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into force documents.
         This does no datetime checking; relying on on whether
@@ -161,12 +160,12 @@ class ForcesBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into ForcesDoc
 
         Args:
-            items List[Dict] : a list of MoleculeDocs in dict form
+            items list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new forces docs
@@ -242,7 +241,7 @@ class ForcesBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in force_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new force docs into the forces collection
 
@@ -294,8 +293,8 @@ class TrajectoryBuilder(Builder):
         tasks: Store,
         molecules: Store,
         trajectories: Store,
-        query: Optional[Dict] = None,
-        settings: Optional[EmmetBuildSettings] = None,
+        query: dict | None = None,
+        settings: EmmetBuildSettings | None = None,
         **kwargs,
     ):
         self.tasks = tasks
@@ -341,7 +340,7 @@ class TrajectoryBuilder(Builder):
         self.trajectories.ensure_index("last_updated")
         self.trajectories.ensure_index("formula_alphabetical")
 
-    def prechunk(self, number_splits: int) -> Iterable[Dict]:  # pragma: no cover
+    def prechunk(self, number_splits: int) -> Iterable[dict]:  # pragma: no cover
         """Prechunk the builder for distributed computation"""
 
         temp_query = dict(self.query)
@@ -365,7 +364,7 @@ class TrajectoryBuilder(Builder):
         for hash_chunk in grouper(to_process_hashes, N):
             yield {"query": {"species_hash": {"$in": list(hash_chunk)}}}
 
-    def get_items(self) -> Iterator[List[Dict]]:
+    def get_items(self) -> Iterator[list[dict]]:
         """
         Gets all items to process into trajectory documents.
         This does no datetime checking; relying on on whether
@@ -412,12 +411,12 @@ class TrajectoryBuilder(Builder):
 
             yield molecules
 
-    def process_item(self, items: List[Dict]) -> List[Dict]:
+    def process_item(self, items: list[dict]) -> list[dict]:
         """
         Process the tasks into TrajectoryDocs
 
         Args:
-            items List[Dict] : a list of MoleculeDocs in dict form
+            items list[dict] : a list of MoleculeDocs in dict form
 
         Returns:
             [dict] : a list of new trajectory docs
@@ -492,7 +491,7 @@ class TrajectoryBuilder(Builder):
 
         return jsanitize([doc.model_dump() for doc in trajectory_docs], allow_bson=True)
 
-    def update_targets(self, items: List[List[Dict]]):
+    def update_targets(self, items: list[list[dict]]):
         """
         Inserts the new force docs into the trajectories collection