The Official Implementation of An Integrated Software-Hardware Smart Structure Identification System in Powder X-ray Diffraction
Video | Benchmarks | MRS Orial, Seattle USA | Paper
Our system revolutionizes PXRD-based crystal identification with high-fidelity data synthesis and the state-of-the-art XQueryer model. Seamlessly integrating with diffractometers, it enables precise, AI-driven material discovery and extends to broader chemical applications.
-
Source Code: Available in the ./src directory.
-
Dataset: OneDrive
-
Benchmarks: Access the benchmark code at repo XqueryerBench.
-
Simulation Code: Available in the ./sim directory.
- Training/Val/Testing: model_tutorial
- Simulation: sim_tutorial
- High-throughput simulation: HTsim_tutorial
Maintained by Bin Cao. Please feel free to open issues in the Github or contact Bin Cao ([email protected]) in case of any problems/comments/suggestions in using the code.