| --- |
| license: other |
| library_name: pytorch |
| tags: |
| - xrd |
| - phase-identification |
| - crystal-structure |
| - xqueryer |
| --- |
| |
| # XQueryer Lightweight — epoch 40 EMA checkpoint |
|
|
| This repository hosts the production checkpoint used by the Aster XRD Agent |
| workflow for powder X-ray diffraction phase identification. |
|
|
| ## File |
|
|
| | Path | Size | SHA-256 | |
| |---|---:|---| |
| | `checkpoints/best.pth` | 448,369,133 bytes | `3ae3c21df52ed170fdbc9e08d3270a6964d538646989958d79906a2417042300` | |
|
|
| The checkpoint contains exponential-moving-average model weights and was saved |
| after epoch 40. The model accepts a 3,500-point XRD intensity vector over the |
| 10–90 degree range and predicts one of 100,315 MP500 structure classes. |
|
|
| ## Source and citation |
|
|
| - Upstream implementation: https://github.com/Asterbin/Asterbin-XQueryer-Lightweight |
| - Original XQueryer project: https://github.com/Bin-Cao/XQueryer |
| - Cao et al., “XQueryer: an intelligent crystal structure identifier for powder |
| X-ray diffraction,” *National Science Review* 12(12), nwaf421 (2025). |
|
|
| The matching `MP500.db` class database is published separately in |
| [`Zhouhc/xrd-agent-mp500-assets`](https://huggingface.co/datasets/Zhouhc/xrd-agent-mp500-assets). |
|
|
| ## Loading safety |
|
|
| PyTorch `.pth` files use Python serialization. Only load this checkpoint if you |
| trust this repository and verify the SHA-256 checksum above. The Aster XRD Agent |
| loads the `ema_model` entry when present. |
|
|
| ## License |
|
|
| The upstream XQueryer Lightweight repository and checkpoint release do not |
| currently declare a standalone license. The `other` metadata value is |
| intentional and must not be interpreted as granting MIT, Apache, or commercial |
| rights. Consult the upstream author for permitted uses and redistribution terms. |
|
|
|
|
