Published May 10, 2023
| Version v4
Journal article
Open
End-to-end AI Framework for Interpretable Prediction of Molecular and Crystal Properties
Authors/Creators
- 1. UIUC, Argonne National Lab
- 2. Northwestern, Argonne National Lab
- 3. UIUC, UIC, Argonne National Lab
- 4. UIC, Argonne National Lab
- 5. UIUC
- 6. Total Energies
Description
Pretrained models for "End-to-end AI Framework for Interpretable Prediction of Molecular and Crystal Properties" paper accepted by MLST journal.
Files
cifs.zip
Files
(637.4 MB)
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Additional details
Related works
- Is supplement to
- 10.1088/2632-2153/acd434 (DOI)
- Is supplemented by
- arXiv:2212.11317 (arXiv)