| library_name: pytorch | |
| tags: | |
| - exafs | |
| - xafs | |
| - materials-science | |
| - spectroscopy | |
| - regression | |
| - moment | |
| base_model: AutonLab/MOMENT-1-small | |
| datasets: | |
| - INnoVerRaL/llm4exafs-training-data | |
| private: true | |
| # LLM4EXAFS Baseline Checkpoint | |
| Private release candidate for the baseline model used in the manuscript | |
| *Learning Local Structural Parameters from EXAFS Spectra Using a Pretrained Transformer*. | |
| The model predicts first-shell mean bond length and coordination number from EXAFS spectra. | |
| This checkpoint is the baseline `MOMENT-1-small` + EXAFS + CORAL + energy-embedding run. | |
| ## Files | |
| - `model.safetensors`: model-state-only export from | |
| `checkpoints/baseline_seed_3407/best.pth`. | |
| - `checksums.json`: file size and SHA-256 digest for the uploaded checkpoint. | |
| ## Provenance | |
| - Local source checkpoint: `checkpoints/baseline_seed_3407/best.pth` | |
| - Exported format: `safetensors` | |
| - Export scope: `model_state` only, without optimizer or scheduler state | |
| - Best validation objective stored in checkpoint: 0.0582 | |
| This is a private draft upload. Public release metadata, citation, and DOI should be | |
| updated after the manuscript data and claims are frozen. | |