Dataset

Replication Data for: A symmetry-preserving and transferable representation for learning the Kohn-Sham density matrix

This archive for reproducibility contains the datasets used to train the models, a small script to read the datasets, and the finest model.

More information can be found in the README.md.

Chemical Info

Data and Resources

Metadata Information

Field Value
DOI https://doi.org/10.18419/DARUS-4902
License URL
Source https://doi.org/10.18419/DARUS-4902
Version
Author Zhang, Liwei, Mazzeo, Patrizia, Nottoli, Michele, Cignoni, Edoardo, Cupellini, Lorenzo, Stamm, Benjamin
Maintainer DaRUS
Language
MetadataPublished
Related Molecule
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
The data in this table is sourced from UniChem at EBI.