GitHub / buenfilstats / Molecular-Dynamics-Project
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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PURL: pkg:github/buenfilstats/Molecular-Dynamics-Project
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Size: 1.93 MB
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Created at: almost 3 years ago
Updated at: over 2 years ago
Pushed at: almost 2 years ago
Last synced at: almost 2 years ago
Topics: clustering, dynamical-systems, enhanced-sampling, molecular-dynamics-simulation, reinforcement-learning, unsupervised-learning