renkin 0.53.0 → 0.54.0

package/README.md

@@ -563,6 +563,11 @@ The JSON output includes `avg_nodes_expanded`, `avg_confidence`, `avg_convergenc
 | `plan_with_constraints` | Constraint-DSL planning (element filters, step limits, confidence thresholds) |
 | `estimate_diversity` | Route diversity and coverage metrics |
 
+`find_routes` also accepts `search_mode: "coverage"` with a required
+`coverage_templates` path. It runs the standard Stage 1 first and escalates
+to Stage 2 only when Stage 1 finds no route; the response reports the selected
+stage, timeout status, and per-stage elapsed time.
+
 The server auto-detects `data/building_blocks.smi` and `data/templates_extracted_5000.smi` in the working directory. Falls back to the embedded `DEFAULT_BUILDING_BLOCKS` / `default_rules()` defaults if not found (152 unique building blocks per `ChemEnv::bb_count()`, 21 handcrafted rules — verified 2026-08-29, after `heck_retro`'s removal (ring-fusion connectivity-collapse defect on internal alkenes fused to the same aromatic ring the leaving-group Br attaches to, confirmed by direct `apply_retro` reproduction on indene) dropped the count from 22, which itself followed `negishi_retro`'s and `grignard_addition_retro`'s removal (v0.36.0 rule-safety census: same ring-fused-atom-duplication defect as `aryl_amine_retro`/`buchwald_hartwig_retro`) dropping it from 24; a "509-BB / 20-rule" figure was previously documented here without verification).
 
 ```bash
@@ -602,7 +607,7 @@ Target SMILES
 ┌─────────────────────────┐
 │     chem_env.rs         │  ← chematic wrapper
 │  - SMILES parse         │     canonical-SMILES FxHashSet BB lookup (O(1))
-│  - 22 built-in + up to 50k via --templates  │     fragment sanitization + ring-leak filter
+│  - 21 built-in + up to 50k via --templates  │     fragment sanitization + ring-leak filter
 │  - Building block check │     apply_retro memoization cache
 └────────────┬────────────┘
              │  par_iter (rayon / sequential on WASM)

package/package.json

@@ -5,7 +5,7 @@
     "kent-tokyo <kent-tokyo@users.noreply.github.com>"
   ],
   "description": "Ultra-fast retrosynthesis engine for computer-aided synthesis planning (CASP) — pure Rust, WASM-ready, Python bindings via PyO3",
-  "version": "0.53.0",
+  "version": "0.54.0",
   "license": "MIT",
   "repository": {
     "type": "git",