renkin 0.37.0 → 0.38.0
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.
- package/README.md +1 -1
- package/package.json +1 -1
- package/renkin_bg.wasm +0 -0
package/README.md
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@@ -413,7 +413,7 @@ for the full acceptance criteria and licensing split.
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| **Output formats & diagnostics** | `--format json\|tree\|mermaid\|explain\|compare\|compare-json\|pareto`; zero-route JSON includes a `diagnostics` block with `likely_causes`/`suggestions` |
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| **`renkin-forward` toolkit** | `predict` (rank forward products), `enumerate` (bounded products from one reactant + partner library), `hints` (partner-free retrieval hints, no concrete product), `validate` (forward-verify each retro step) — see the [Forward guides](docs/guides/forward-retrieval-hints.md#predict--enumerate--hints-at-a-glance) |
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| **`renkin-bench`** | USPTO-50k/PaRoutes evaluation with `--plausibility` (forward-validated composite score), `--failure-taxonomy`, atom-balance checks (`target_MW > Σ precursor_MW`), and multi-stage `cascade` re-runs on unsolved targets — see [Benchmark](#benchmark) |
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| **Stock
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| **Stock management** | `renkin stock stats\|validate\|coverage` for legacy CSV plus the `vendor_stock` library API for v0.38 CSV/TSV vendor records (SMILES, ID, vendor, price, lead time, availability), explicit exact/parent/stereo/tautomer match modes, and an InChIKey candidate index |
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| **MCP server** | `renkin-mcp` exposes 6 tools: `find_routes`, `validate_route`, `explain_route`, `find_pareto_routes`, `plan_with_constraints`, `estimate_diversity` |
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| **`renkin-doctor`** | Environment diagnostic binary — templates, building blocks, Python import, tool versions, data integrity |
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| **`renkin-kg`** | Reaction knowledge graph builder — bipartite mol↔reaction graphs from routes, GraphML/Cypher export |
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package/package.json
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"kent-tokyo <kent-tokyo@users.noreply.github.com>"
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],
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"description": "Ultra-fast retrosynthesis engine for computer-aided synthesis planning (CASP) — pure Rust, WASM-ready, Python bindings via PyO3",
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"version": "0.
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"version": "0.38.0",
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"license": "MIT",
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"repository": {
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"type": "git",
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package/renkin_bg.wasm
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Binary file
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