Serve documentation from the operator UI

scimesh/workloads/descriptors/definition.py

@@ -9,6 +9,7 @@ partition, compute, and merge.
 
 from __future__ import annotations
 
+from pathlib import Path
 from typing import Any, Mapping
 
 from scimesh.sdk.artifacts import ArtifactSchema, ComponentRef, PortSpec
@@ -132,6 +133,7 @@ class DescriptorBatchWorkload(MapReduceWorkload):
             raise ValueError("skip_invalid must be a boolean")
         return value
 
+
 def descriptor_batch_sdk_definition(
     *,
     shard_rows: int = 10_000,

scimesh/workloads/library.py

@@ -12,7 +12,7 @@ import os
 import platform
 
 from scimesh.sdk.identity import SDK_API_VERSION
-from scimesh.sdk.registry import WorkloadRegistry
+from scimesh.sdk.registry import AllowedPackage, WorkloadRegistry
 from scimesh.sdk.resources import ResourceInventory
 from scimesh.sdk.runtime import RuntimeCapabilities
 
@@ -80,7 +80,12 @@ def default_sdk_runtime(
         features={"artifact-collections": "1.0.0", "exact-verifier": "1.0.0"},
         workload_capabilities=(
             workload_capabilities
-            or ("similarity-search", "similarity-graph", "descriptor-batch", "molwt-filter")
+            or (
+                "similarity-search",
+                "similarity-graph",
+                "descriptor-batch",
+                "molwt-filter",
+            )
         ),
         inventory=ResourceInventory(
             cpu_cores=max(os.cpu_count() or 1, 1),

scimesh/workloads/molwt_filter/core.py

@@ -68,7 +68,7 @@ def filter_molecules_by_molwt(
                 if not skip_invalid:
                     raise ValueError(f"row {scanned} has an invalid canonical_smiles")
                 continue
-            molwt = Descriptors.MolWt(molecule)
+            molwt = Descriptors.MolWt(molecule)  # type: ignore[attr-defined]
             if minimum is not None and molwt < minimum:
                 continue
             if maximum is not None and molwt > maximum: