Benchmark dataset for the Iterative Rotations and Assignments (IRA) algorithm

In the publication of the Iterative Rotations and Assignments (IRA) algorithm, a dataset of atomic structures was used for the benchamrking of the algorithm. Two other algorithms were included in the benchmark, ArbAlign and fastoverlap. The atomic structures were obtained from several other publications, for details please refer to IRA publication. 

The data shared here contains the atomic structures, copies of algorithms, and all scripts used in the benchmark of the reference paper.The source code of IRA algorithm is accessible on github.

Each algorithm and dataset contained in this archive may be subject to its own license, please refer to the README files inside.