Project ID: plumID:24.005
Name: Learning Markovian Dynamics with Spectral Maps
Archive: https://zenodo.org/records/10678142/files/plumed-egg.zip
Category: methods
Keywords: spectral map, collective variables, machine learning
PLUMED version: 2.7
Contributor: Jakub Rydzewski
Submitted on: 16 Feb 2024
Publication: J. Rydzewski, T. Gökdemir, Learning Markovian dynamics with spectral maps. The Journal of Chemical Physics. 160 (2024)
PLUMED input files
| File | Compatible with |
|---|---|
| plumed.dat |   |
Last tested: 22 Apr 2024, 20:41:22
Project description and instructions
Postprocessed datasets for CLN025 (original data published by DE Shaw Research) and a modified Muller-Brown potential; Scripts for running multiple simulations on the MB potential with PLUMED 2; A reference implementation of spectral map.
Submission history
[v1] 16 Feb 2024: original submission
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