---
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.