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Code and example notebook demostrating usage of Tangent Space Least Adaptive Clustering algorithm for molecular dynamics simulations with known collective variables

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Molecular-Dynamics-Project

This repository contains code and an example notebook demostrating usage of Tangent Space Least Adaptive Clustering.

To learn about this project, first check out the introductory slides here, and then check out the paper.

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Code and example notebook demostrating usage of Tangent Space Least Adaptive Clustering algorithm for molecular dynamics simulations with known collective variables

reinforcement-learning clustering molecular-dynamics-simulation dynamical-systems unsupervised-learning enhanced-sampling

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