Public workflows

  • Prepared molecules: prepare an RDKit molecule once, serialize it, and reuse it without RDKit at runtime.
  • Deviation diagnostics: find the first token or character where a candidate leaves the supported language.
  • Token inventories: build required SMILES-token vocabulary coverage for a molecule or dataset.

Contributor workflows

  • Containerized development: run checks, tests, docs, packaging, timings, and artifact generation through Docker-backed make lanes.
  • Testing fixtures: read fixture-family counts, provenance counts, promotion rules, and fixture maintenance rules.
  • RDKit serializer coverage: trace reviewed RDKit source-tree serializer tests to executable Grimace fixture evidence.
  • Parity examples: read concrete fixture-backed passing, semantic-boundary, and known-gap examples.

For signatures, see API. For supported flags and roots, see Runtime.