This code was developed for use with the NIST IR spectra dataset that can be scraped by running 1) NIST Spectra Scraper.py, 2) NIST Preprocessor.ipynb, and 3) NIST Molecule Selector.ipynb in order. This data can be obtained from: https://webbook.nist.gov/chemistry/name-ser/
Model training can be run directly on Google Colab using the Spectra_Predictor_GColab.ipynb file