This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• code.zip: Python code used to train and use the model and pre-trained model
• MAS_datasets.zip: Datasets of variable-rate MAS 1H NMR experiments on which the model is applied
• assignment_experiments.zip: NMR experiments used to determine the assignment of the proton spectra
• probabilistic_assignment.zip: Assignment probabilities of the carbon chemical shifts of molnupiravir
• Quantum_espresso.zip: Quantum ESPRESSO DFT chemical shift computations to assign chemical shifts of MDMA hydrochloride