kiteIRPairs
kiteIRPairs is a Python library designed to facilitate the analysis of Infrared (IR) spectroscopic data, specifically focusing on identifying and quantifying molecular interactions. The library leverages advanced algorithms to process and interpret complex IR spectra, enabling researchers to gain insights into the vibrational modes of molecules and how these modes are affected by intermolecular forces. It aims to simplify the process of data interpretation, which can often be challenging due to overlapping peaks and background noise inherent in IR spectroscopy.
The core functionality of kiteIRPairs revolves around its ability to identify characteristic IR absorption bands associated
kiteIRPairs provides a programmatic interface, allowing users to integrate its analysis tools into their existing workflows.