zenodoopen
Reference and ESPF-DRF QM/MM data for bimolecular interaction energies
<p>Reference QM data and ESPF-DRF QM/MM (generated with PyESPF + PySCF https://github.com/tomfay/PyESPF ) interaction energy data for a set of test bimolecular systems.</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
Dataset details
- Repository
- zenodo
- Published
- September 8, 2024
- License
- cc-by-4.0
- DOI
- 10.5281/zenodo.13736077
Scored with release 0.9.0
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