Methods to deconvolute experimental mixture spectra via a model that is trained on experimental pure-component spectra.
This is documentation for https://github.com/VlachosGroup/pQUAD.
See our documentation page for examples, equations used, and docstrings.
- Joshua Lansford (lansford@udel.edu)
A Windows executable .bat file that provides a user interface via Command Prompt along with instructions is provided in the scripts directory.
This project is licensed under the MIT License - see the LICENSE.md file for details.