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.
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.