Mapping Conformational and Kinetic Landscapes of 14-3-3σ/α-Synuclein Assembly via Variational Autoencoders and Markov State Models

The folder contains all the files needed for performing the entire VAE model, along with Markov State Model (MSM) construction. Additionally, the initial .top and .rst files for the bound and unbound states of both proteins have been uploaded for reference. A file named README.dat explains in detail all the subdirectories along with their respective file hierarchy.