Péptido México Open Science

Small, inspectable and reproducible tools for peptide laboratory calculations and volume visualization.

What is available

  • peptide-calculations calculates reconstitution volume, concentration, dilution, molarity and unit conversions from explicit inputs.
  • syringe-visualizer renders a volume inside a syringe using Three.js and provides a 2D fallback.
  • peptide-qc reports sequence composition, elemental formula, mass, approximate charge/pI and Kyte–Doolittle hydropathy.
  • coa-schema validates the structure of research-material records with a versioned JSON Schema and an offline CLI.
  • lcms-peptide-qc calculates positive-mode m/z, charge states and signed/absolute ppm error.
  • peptide-evidence-map normalizes and deduplicates curator-supplied literature identifiers with a provenance hash; it does not fetch or interpret papers.
  • peptide-calculations for Python provides a dependency-free Python API and CLI for the same unit-aware calculations.

The repro-lab-kit connects three package outputs in an offline synthetic workflow and checks a versioned expected summary.

The CWL workflow wraps the same run in a portable workflow description, and the OCI image includes a CycloneDX SBOM for the three package dependencies.

The browser integration is the Péptido México reconstitution calculator. The calculated volume is shared with the visualizer, so the scene is an explanation of the numeric result rather than an unrelated animation.

Five-minute path

  1. Choose a package in the repository.
  2. Read its scope and limits.
  3. Run npm ci inside the package.
  4. Run npm test and npm pack --dry-run.
  5. Use the synthetic example or add a fixture for your own reproducible case.

Scientific boundary

These tools are for research-use-only and education. They do not calculate a therapeutic dose, select a solvent or protocol, calibrate a physical syringe, certify a batch, replace a validated laboratory method or provide clinical advice.

Péptido México maintains the packages and operates a commercial research-material business. That relationship is disclosed in the package READMEs and citation files.