Repo Overview
Vib2Conf is an AI-driven approach for distinguishing molecular conformations from vibrational spectra. The model leverages advanced neural network architectures to accurately map vibrational/Raman spectra to molecular conformations.
This repository includes:
- Pre-trained model checkpoints
- Visualization scripts and resources
- Complete benchmark datasets (QM9S, VB-Mols, QMe14S, VB-Confs)
Please check our
Github repo for details.
