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Database of DNA electron density training structures v2

<p>This database contains the data for the DNA structures used to train the e3nn machine learning electron density model in the publication, &ldquo;Predicting accurate <em>ab initio</em> DNA electron densities with equivariant neural networks":&nbsp;<a href="https://doi.org/10.1016/j.bpj.2022.08.045">https://doi.org/10.1016/j.bpj.2022.08.045</a>.</p> <p>Version 2 includes data files with the correct number of atoms. Energy and force data (which wasn't used to train the density model) was removed.&nbsp;</p> <p>See the file&nbsp;<a href="https://zenodo.org/api/files/ff345ec9-614c-4a59-ae5b-667bd1f793f2/DNA-density-database.pdf">DNA-density-database-v2.pdf</a>&nbsp;for details.</p>

ShareScore

32/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
8
Engagement
0