Deep learning for predicting molecule spectra. Written as a special assignment in physics for Aalto Univesity CEST group.
Network originally designed and created in Theano by Kunal Ghosh.
Rewritten into PyTorch by Mathias Smeds, along with further hyperparameter optimisation.
Final submission at https://github.com/modjas/CNN_spectroscopy/blob/master/PHYS_special_assignment_mathiassmeds.pdf