Project ID: plumID:24.032
Name: DeepLNE++
Archive: https://github.com/ThorbenF/DeepLNE_PlusPlus/archive/main.zip (browse)
Category: methods
Keywords: PATHCV, OPES
PLUMED version: 2.9
Contributor: Thorben Fröhlking
Submitted on: 13 Nov 2024
Publication: T. Fröhlking, V. Rizzi, S. Aureli, F. L. Gervasio, DeepLNE++ leveraging knowledge distillation for accelerated multi-state path-like collective variables. The Journal of Chemical Physics. 161 (2024)
PLUMED input files
| File | Compatible with |
|---|---|
| analysis/PremiR21/OPES/plumed_DeepLNE.dat |    |
Last tested: 23 Apr 2025, 10:07:16
Project description and instructions
The simulations were run with GROMACS 2022.5.
Submission history
[v1] 13 Nov 2024: original submission
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