Published 2025
| Version v2
Journal article
Open
Towards Accurate PAH IR Spectra Prediction: Handling Charge Effects with Classical and Deep Learning Models
Authors/Creators
- 1. Lomonosov Moscow State University, 119234 Moscow, Russia
Description
The code and models for predicting IR spectra of polycyclic aromatic hydrocarbons using machine learning methods.
Files
README.md
Files
(287.9 MB)
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