A simple Python wrapper around the NIST Chemistry WebBook
Project description
NistChemPy: Python API for NIST Chemistry WebBook
NistChemPy is an unofficial API for the NIST Chemistry WebBook.
This package not only automates the search and data extraction processes but also bypasses the WebBook's limitation of 400 compounds per search.
Currently, NistChemPy enables the extraction of basic compound properties as well as IR, THz, MS, and UV-Vis spectra.
Additional properties are available via URLs that link to their respective web pages, with potential support for direct extraction in future updates.
Installation
Install NistChemPy using pip:
pip install nistchempy
[!WARNING] Please note that versions starting with 1.0.0 are not backward compatible with the older alpha versions due to significant changes in the code structure. You may need to update your nistchempy-based code or use the older nistchempy versions.
How To
The primary features of NistChemPy, such as search capabilities and compound manipulations, are detailed in the documentation.
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