Project ID: plumID:21.023
Name: Multiscale Reweighted Stochastic Embedding (MRSE) - Deep Learning of Collective Variables for Enhanced Sampling
Archive: https://zenodo.org/record/4804489/files/MRSE-PLUMED-Egg-arXiv-2007.06377.zip
Category: methods
Keywords: enhanced sampling, collective variables, machine learning
PLUMED version: 2.7
Contributor: Jakub Rydzewski
Submitted on: 26 May 2021
Last revised: 04 Aug 2021
Publication: J. Rydzewski, O. Valsson, Multiscale Reweighted Stochastic Embedding: Deep Learning of Collective Variables for Enhanced Sampling, The Journal of Physical Chemistry A 125, 6286–6302 (2021)

PLUMED input files

File Compatible with
Data-mb/mb-wtm-bf4/plumed.dat tested on v2.7 tested on master
Data-mb/mb-wtm-bf5/plumed.dat tested on v2.7 tested on master
Data-mb/mb-wtm-bf7/plumed.dat tested on v2.7 tested on master
Data-mb/mb-wtm-bf3/plumed.dat tested on v2.7 tested on master
Data-ala1/ala1-vacuum-pt/plumed.dat tested on v2.7 tested on master
…-ala1/ala1-vacuum-wtm-rct-ustride-1-bf5/plumed.dat tested on v2.7 tested on master
…-ala1/ala1-vacuum-wtm-rct-ustride-1-bf2/plumed.dat tested on v2.7 tested on master
…-ala1/ala1-vacuum-wtm-rct-ustride-1-bf3/plumed.dat tested on v2.7 tested on master
…ala1/ala1-vacuum-wtm-rct-ustride-1-bf10/plumed.dat tested on v2.7 tested on master
…ala3/ala3-vacuum-wtm-rct-ustride-50-bf5/plumed.dat tested on v2.7 tested on master
Data-ala3/ala3-vacuum-pt/plumed.dat tested on v2.7 tested on master

Last tested: 18 Sep 2021, 18:42:49

Project description and instructions
See README.md for instructions.

Submission history
[v1] 26 May 2021: original submission
[v2] 04 Aug 2021: updated doi

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plumeDnest:21.023