Alanine Dipeptide

The dataset used in the paper is a set of molecular dynamics simulations with temperature-accelerated molecular dynamics (TAMD) and enhanced sampling methods.

Data and Resources

Cite this as

Wang, Olsson, Wehmeyer, P´erez, Charron, De Fabritiis, No´e, Clementi (2024). Dataset: Alanine Dipeptide. https://doi.org/10.57702/456ts39i

DOI retrieved: December 16, 2024

Additional Info

Field Value
Created December 16, 2024
Last update December 16, 2024
Defined In https://doi.org/10.1007/978-3-031-31975-4_16
Citation
  • https://doi.org/10.48550/arXiv.2312.09404
  • https://doi.org/10.1103/PhysRevX.10.021020
  • https://doi.org/10.48550/arXiv.2302.00600
Author Wang
More Authors
Olsson
Wehmeyer
P´erez
Charron
De Fabritiis
No´e
Clementi
Homepage https://github.com/li012589/neuralCT