RAFFLE is a software package developed by the Hepplestone Research Group for the random structure search applied to interfaces.

Click here to access the public release via GitHub: https://github.com/ExeQuantCode/RAFFLE

Referencing

The software is licensed under a General Public License v3 (GPLv3). As such, the software is free to use. Please cite the following works in all papers using RAFFLE:

“RAFFLE: Active learning accelerated interface structure prediction”, arXiv preprint arXiv:2504.02528 (2025), N. T. Taylor, J. Pitfield, F. H. Davies, S. P. Hepplestone. https://doi.org/10.48550/arXiv.2504.02528

RAFFLE Logo

The RAFFLE logo should be used on slides and posters that present work in which the RAFFLE software was used to generate structures. The colour logo should be used where possible.

Logo

download png logo (271KB)    download pdf logo (8KB)

All logos designed by the Hepplestone Research Group.