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RENKIN

Local retrosynthesis planning and route auditing in Rust.

CI Rust coverage Ask DeepWiki Crates.io PyPI License: MIT

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RENKIN has two complementary jobs:

  • Plan: search retrosynthetic routes from target SMILES to declared building blocks.
  • Audit: apply the same deterministic structural, stock, forward-replay, and provenance checks to routes from RENKIN, AiZynthFinder, Syntheseus, or SynPlanner.

Current release: v1.0.15. Core chemistry is pure Rust; the project ships a CLI, Rust crate, Python package, MCP server, and browser WebAssembly module. The default planner has 24 hand-crafted rules. Repository-backed runs use the 402-compound stock file; WASM and installations without that file use a compiled-in 152-compound fallback. Supply stock explicitly when it matters.

Install

pip install renkin
cargo add renkin
npm install renkin

Start in two commands

Plan aspirin from the CLI:

renkin --target "CC(=O)Oc1ccccc1C(=O)O" --depth 5 --beam-width 100

Audit an exported route locally:

renkin audit-route route.json --format auto --output json

Python uses the same engine:

import json, renkin
routes = json.loads(renkin.find_routes("CC(=O)Oc1ccccc1C(=O)O", depth=5))
report = json.loads(renkin.audit_route(open("route.json").read(), format="auto"))

Choose an interface

Need Start here
Browser-only exploration or audit Playground · WASM API
Application integration Python · Rust
Local agent workflow MCP guide
Private stock or route evidence Audit guide · Policy guide

renkin capabilities, renkin.capabilities(), WASM capabilities(), and modern MCP discovery expose each surface's effective limits. Private inputs stay local unless an operator explicitly exports them.

Scope and benchmark boundary

An audit result is evidence, not a claim that a synthesis will succeed in the laboratory. Stock identity is exact standardized canonical-SMILES membership; model output and route imports are never accepted without validation.

The registered Phase 55 shared-stock TEST found strict routes for RENKIN on 481/690 targets (69.71%) and AiZynthFinder 4.4.1 on 32/690 (4.64%), under its pinned cohort, stock, assets, and budgets. It does not establish universal planner superiority, laboratory viability, or whole-cohort speed superiority. Read the result record before reusing the figure.

Development

cargo test --workspace
cargo clippy --workspace --all-targets -- -D warnings
cargo fmt --all -- --check
cargo llvm-cov --workspace --lib --bins --tests --fail-under-lines 90

The coverage badge and 90% gate measure default-feature native Rust workspace tests, including CLI binaries. Python and WASM are tested separately and are not part of this percentage.

For contribution rules, see CONTRIBUTING.md; for priorities, see ROADMAP.md. Release history is in CHANGELOG.md.

License

MIT. See LICENSE.

Metadata

Release files for renkin 1.0.15

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for renkin 1.0.15
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renkin-1.0.15.tar.gz 1.5 MB Details

Built distributions (wheels)

Table of built distributions (wheels) for renkin 1.0.15
File
renkin-1.0.15-pp311-pypy311_pp73-manylinux_2_17_x86_64.manylinux2014_x86_64.whl PyPy 3.11 PyPy 3.11 7.3 Linux glibc 2.17+ x86-64 Details
renkin-1.0.15-pp311-pypy311_pp73-manylinux_2_17_aarch64.manylinux2014_aarch64.whl PyPy 3.11 PyPy 3.11 7.3 Linux glibc 2.17+ ARM64 Details
renkin-1.0.15-cp315-cp315t-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.15 CPython 3.15 free-threading Linux glibc 2.17+ x86-64 Details
renkin-1.0.15-cp315-cp315-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.15 CPython 3.15 Linux glibc 2.17+ x86-64 Details
renkin-1.0.15-cp314-cp314t-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.14 CPython 3.14 free-threading Linux glibc 2.17+ x86-64 Details
renkin-1.0.15-cp314-cp314t-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.14 CPython 3.14 free-threading Linux glibc 2.17+ ARM64 Details
renkin-1.0.15-cp314-cp314-win_amd64.whl CPython 3.14 CPython 3.14 Windows x86-64 Details
renkin-1.0.15-cp314-cp314-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.14 CPython 3.14 Linux glibc 2.17+ x86-64 Details
renkin-1.0.15-cp314-cp314-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.14 CPython 3.14 Linux glibc 2.17+ ARM64 Details
renkin-1.0.15-cp314-cp314-macosx_11_0_arm64.whl CPython 3.14 CPython 3.14 macOS 11.0+ ARM64 Details
renkin-1.0.15-cp313-cp313-win_amd64.whl CPython 3.13 CPython 3.13 Windows x86-64 Details
renkin-1.0.15-cp313-cp313-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.13 CPython 3.13 Linux glibc 2.17+ x86-64 Details
renkin-1.0.15-cp313-cp313-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.13 CPython 3.13 Linux glibc 2.17+ ARM64 Details
renkin-1.0.15-cp313-cp313-macosx_11_0_arm64.whl CPython 3.13 CPython 3.13 macOS 11.0+ ARM64 Details
renkin-1.0.15-cp312-cp312-win_amd64.whl CPython 3.12 CPython 3.12 Windows x86-64 Details
renkin-1.0.15-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.12 CPython 3.12 Linux glibc 2.17+ x86-64 Details
renkin-1.0.15-cp312-cp312-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.12 CPython 3.12 Linux glibc 2.17+ ARM64 Details
renkin-1.0.15-cp312-cp312-macosx_11_0_arm64.whl CPython 3.12 CPython 3.12 macOS 11.0+ ARM64 Details
renkin-1.0.15-cp311-cp311-win_amd64.whl CPython 3.11 CPython 3.11 Windows x86-64 Details
renkin-1.0.15-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.11 CPython 3.11 Linux glibc 2.17+ x86-64 Details
renkin-1.0.15-cp311-cp311-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.11 CPython 3.11 Linux glibc 2.17+ ARM64 Details
renkin-1.0.15-cp311-cp311-macosx_11_0_arm64.whl CPython 3.11 CPython 3.11 macOS 11.0+ ARM64 Details
renkin-1.0.15-cp310-cp310-win_amd64.whl CPython 3.10 CPython 3.10 Windows x86-64 Details
renkin-1.0.15-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.10 CPython 3.10 Linux glibc 2.17+ x86-64 Details
renkin-1.0.15-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.10 CPython 3.10 Linux glibc 2.17+ ARM64 Details
renkin-1.0.15-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl CPython 3.9 CPython 3.9 Linux glibc 2.17+ x86-64 Details
renkin-1.0.15-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.9 CPython 3.9 Linux glibc 2.17+ ARM64 Details
renkin-1.0.15-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl CPython 3.8 CPython 3.8 Linux glibc 2.17+ ARM64 Details

Total release size: 51.1 MB

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Release files / renkin-1.0.15-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl

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This release

1.0.15 This release

29 release files

1.0.9

29 release files

1.0.8

29 release files

1.0.7

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1.0.6

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0.1.0

29 release files

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