rMD17

The dataset used in this paper is a collection of molecular dynamics trajectories of ten small molecules.

Data and Resources

Cite this as

Erik J Bekkers, Sharvaree Vadgama, Rob D Hesselink, Putri A van der Linden, David W Romero (2024). Dataset: rMD17. https://doi.org/10.57702/kdxqkin8

DOI retrieved: December 2, 2024

Additional Info

Field Value
Created December 2, 2024
Last update December 2, 2024
Defined In https://doi.org/10.48550/arXiv.2310.02970
Author Erik J Bekkers
More Authors
Sharvaree Vadgama
Rob D Hesselink
Putri A van der Linden
David W Romero
Homepage https://doi.org/10.1038/s41598-020-7222-3