Published March 14, 2023
| Version v2
Journal article
Open
End-to-end AI Framework for Hyperparameter Optimization, Model Training, and Interpretable Inference for Molecules and Crystals
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 Hyperparameter Optimization, Model Training, and Interpretable Inference for Molecules and Crystals" paper submitted to MLST journal.
Files
Files
(303.0 MB)
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Additional details
Related works
- Is supplement to
- arXiv:2212.11317 (arXiv)