Raman spectra contain abundant information from molecules but are difficult to analyze, especially for the mixtures. Deep-Learning-Based Components Identification for Raman Spectroscopy (DeepCID) has
This folder contains formation energy of BDE-db,QM9,PC9,QMugs and QMugs1.1 datasets by filtered (The training, test, and validation sets were randomly split in a ratio of 0.8, 0.1, and 0.1, respective
