CITATION.cff

cff-version: 1.2.0
message: "If you use NistChemPy in research, please cite the software using this metadata and verify retrieved records against the original NIST Chemistry WebBook pages."
type: software
title: "NistChemPy: Unofficial Python tools for querying NIST Chemistry WebBook pages"
authors:
  - family-names: Chernyshov
    given-names: Ivan Yu.
abstract: >-
  NistChemPy is an unofficial Python package for querying NIST Chemistry
  WebBook pages and extracting selected molecular-property records. It is
  intended for research workflows that need programmatic access to selected
  WebBook page contents while preserving links to the original source pages for
  verification. NistChemPy does not distribute a prebuilt WebBook-derived
  compound index. NistChemPy is not affiliated with, maintained by, or endorsed by
  NIST, and users should verify retrieved records against the original NIST
  Chemistry WebBook pages and applicable terms before downstream use.
keywords:
  - NIST Chemistry WebBook
  - chemical data
  - molecular properties
  - spectral data
  - mass spectra
  - infrared spectra
  - gas chromatography
  - cheminformatics
  - scientific Python
  - physical chemistry
license: MIT
repository-code: "https://github.com/muCommons/NistChemPy"
url: "https://mucommons.github.io/NistChemPy/"
version: 2.0.0.dev0
doi: 10.5281/zenodo.20235917
date-released: "2026-05-20"