Ruby

AsciiChem or SMILES — try something your colleagues use

Rubyyou are here

asciichem

gem install asciichemReference implementation.

TypeScript

asciichem-ts

npm install asciichemPowers this page.

Python

asciichem-py

pip install asciichem-pyZero runtime deps.

gem install asciichem

Quick start

require "asciichem"

formula = AsciiChem.parse("2H_2 + O_2 ->[heat] 2H_2O")
formula.to_mathml        # presentation MathML (L2 goldens)
formula.to_text          # canonical AsciiChem text (round-trip)
formula.to_structural_svg # 2D structural diagram

# Structures from databases, straight into the same model
AsciiChem.parse_smiles("CC(=O)OC1=CC=CC=C1C(=O)O").to_structural_svg
mol = AsciiChem.parse_molfile(File.read("ethanol.mol"))  # coordinates preserved

# Resolution: identifiers → substance records with provenance
substance = AsciiChem::Resolver.resolve(value: "50-78-2", convention: "cas")
substance.identifier_value("inchikey")  # => "BSYNRYMUTXBXSQ-UHFFFAOYSA-N"

# Canonical wire form (asciichem-model v1)
AsciiChem.parse("H_2O").to_model_json

Claimed levels

Parse / reject · L0 emission · L1 text · L2 MathML · SMILES · molfile · CML · linter — 100% of the shared corpus. See the Implementations matrix for the full table.

What you get here, not elsewhere

The reference implementation carries the long tail of features that make the contract concrete:

All formatters — MathML, Text (the canonicaliser), HTML, LaTeX, SVG (typographic), StructuralSvg (2D layout), CML via the chemicalml gem, SMILES and molfile writers, and the canonical wire JSON.
Opt-in Rust-core engine — the same grammar and transform over Parsanol’s parslet-compat layer, at ~2.4× parse speed; parslet stays the default:
```
# Gemfile: gem "parsanol", "~> 1.3.16"
require "asciichem/engine/parsanol_engine"
AsciiChem::Engine.use(:parsanol)
```
Citations — AsciiChem::Citation.to_xml(substance) emits a dataset-type Relaton bibitem per resolved source. CLI: asciichem cite --cas 50-78-2. See Citing substances.
InChI identity — opt-in engine over the IUPAC inchi-1 binary with IdentityCrossCheck linter. CLI: asciichem identity -i .... See Structures and resolution.
Beyond formulas — crystals, spectra, computational results, Z-matrices, reaction mechanisms all parse into the semantic model and round-trip.
The CLI — convert, lint, validate, resolve, cite, identity, version. See CLI reference.

Repository

github.com/asciichem/asciichem-ruby — releases flow through trusted publishing (RubyGems OIDC, no stored credentials).

Play