The code for gaussian mixture variational auto-encoder using convolutional layers and a gumbel-softmax distribution for the application of clustering protein folding trajectories.
The code is mostly modified from the following source:
https://github.com/jariasf/GMVAE
https://github.com/psanch21/VAE-GMVAE
if you use this code please cite the following paper:
@article{ghorbani2021variational,
title={Variational embedding of protein folding simulations using Gaussian mixture variational autoencoders},
author={Ghorbani, Mahdi and Prasad, Samarjeet and Klauda, Jeffery B and Brooks, Bernard R},
journal={The Journal of Chemical Physics},
volume={155},
number={19},
pages={194108},
year={2021},
publisher={AIP Publishing LLC}
}