RENKIN
Plan routes. Audit routes. Keep the evidence local.
RENKIN is a pure-Rust computer-aided synthesis planning (CASP) engine and a tool-neutral route-audit layer. It searches from target SMILES to a declared stock, then can audit routes from RENKIN, AiZynthFinder, Syntheseus, and SynPlanner with the same deterministic checks.
Current release: v1.0.14.
Start here
Two complementary jobs
| Job | RENKIN does | Read next |
|---|---|---|
| Plan | Searches with bounded A*/beam exploration, rule/template expansion, and declared building-block stock | Quick start |
| Audit | Checks route topology, structure, stock policy, optional forward replay, and evidence receipts | Audit reproducibility |
The core has no C/C++ dependency and is available as a Rust crate, CLI, Python package, MCP server, and browser WebAssembly module. Local audit inputs and private-stock policies stay local unless an operator deliberately exports them.
The default planner currently has 24 hand-crafted rules. Its repository stock file contains 402 compounds; installations without that file, and WASM, use a compiled-in 152-compound fallback. Supply an explicit stock file when this distinction matters to a run.
What an audit report means
An audit verdict is pass, fail, or partial. partial is intentional:
if the supplied route cannot support a check, for example because it lacks an
atom-mapped reaction representation, RENKIN records not_evaluable instead
of inventing a result. A route report is not an experimental-success,
yield, safety, or regulatory claim.
Useful guides:
Benchmark boundary
The registered Phase 55 TEST used a frozen 690-target cohort, shared stock, and declared budgets. RENKIN had 481/690 strict routes (69.71%) and AiZynthFinder 4.4.1 had 32/690 (4.64%); the paired coverage difference was +65.07 percentage points (95% CI +61.45 to +68.55).
This supports a coverage result only for that registered configuration. It does not establish universal planner superiority or experimental viability. Peak-RSS and time-to-first-route receipts are still pending, so it does not support a whole-cohort performance claim. See the Benchmark overview and formal Phase 55 result record.
Choose an interface
| Need | Interface |
|---|---|
| Application integration | Python API or Rust API |
| Browser-only workflow | WASM / JavaScript |
| Automation agent | MCP server |
| Forward validation and retrieval | Forward tools |
For source, releases, and issue tracking, visit github.com/kent-tokyo/renkin.