| --- |
| license: mit |
| tags: |
| - crystallography |
| - powder-diffraction |
| - indexing |
| library_name: mlindex |
| --- |
| |
| # MLINDEX models |
|
|
| Machine-learning models used by [MLINDEX](https://github.com/dwmoreau/MLI), a powder |
| diffraction indexing program. Given a list of observed diffraction peaks, MLINDEX returns |
| candidate unit cells ranked by the de Wolff M20 figure of merit. These models initialize the |
| candidate unit cells for each Bravais lattice; the candidates are then refined by |
| least-squares optimization. |
|
|
| ## Contents |
|
|
| One directory per lattice system, each holding the trained components for its Bravais |
| lattices and split groups: |
|
|
| | Directory | Bravais lattices | |
| |---|---| |
| | `cubic_1/` | cF, cI, cP | |
| | `hexagonal_1/` | hP | |
| | `rhombohedral_1/` | hR | |
| | `tetragonal_1/` | tI, tP | |
| | `orthorhombic_1/` | oC, oF, oI, oP | |
| | `monoclinic_1/` | mC, mP | |
| | `triclinic_1/` | aP | |
|
|
| Within each, `random_forest/` and `random/` hold random-forest volume predictors, |
| `template/` holds the Miller-index template libraries and their calibrators, |
| `integral_filter/` holds the quantized ONNX candidate-filter networks, and `data/` holds the |
| `hkl_ref_*.npy` reference sets and training parameters. |
|
|
| Total: 780 files, ~545 MB. |
|
|
| ## Usage |
|
|
| ```bash |
| pip install mlindex |
| mlindex.download_models |
| ``` |
|
|
| `mlindex.download_models` fetches this repository at the revision pinned by your installed |
| mlindex version. No `git` or `git-lfs` required. |
|
|
| To fetch it directly: |
|
|
| ```python |
| from huggingface_hub import snapshot_download |
| snapshot_download("dwmoreau/mlindex-models", revision="v1", local_dir="models") |
| ``` |
|
|
| ## Revisions |
|
|
| Releases of mlindex pin a specific tag, so a given version always gets the exact weights it |
| was tested against. `v1` corresponds to the models released with mlindex 0.1.x. |
|
|
| ## Citation |
|
|
| Please check the [GitHub repository](https://github.com/dwmoreau/MLI) for the current |
| citation. |
|
|
| ## License |
|
|
| MIT, matching the MLINDEX source. |
|
|
