Molecular-MNIST Dataset

A molecular image dataset of 10 different size molecules, where each molecule has 2,000 structural variants, is generated from the 2D cross-sectional projection of Molecular Dynamics trajectories.

Data and Resources

Cite this as

Yan Zhang, Steve Farrell, Michael Crowley, Lee Makowski, Jack Deslippe (2025). Dataset: Molecular-MNIST Dataset. https://doi.org/10.57702/nv4m4kff

DOI retrieved: January 3, 2025

Additional Info

Field Value
Created January 3, 2025
Last update January 3, 2025
Defined In https://doi.org/10.48550/arXiv.1911.07644
Author Yan Zhang
More Authors
Steve Farrell
Michael Crowley
Lee Makowski
Jack Deslippe
Homepage https://www.dropbox.com/sh/t8unmhfm6epemlq/AAA6TSFNNSRe-e6JWlOZH5xra?dl=0