zenodoopen
ISO-17 (QCArchive View Formatted)
<p>Data curated by the QCArchive team, originally sourced from quantum-machine.org.</p> <p>Molecular dynamics trajectories of 129 isomers of C<sub>7</sub>H<sub>10</sub>O<sub>2</sub>, each containing 5,000 snapshots at a resolution of 1 fs. All molecules are neutral singlets. Calculations are performed at the PBE-TS level of theory. </p> <p>For more information, see http://qcarchive.molssi.org/apps/ml_datasets/.</p>
ShareScore
36/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 8
- Access
- 20
- Reuse readiness
- 4
- Engagement
- 0