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Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation

Creator:

Lee, Shih Kuang, Tsai, Sun Ting, and Glotzer, Sharon C.

Description:

The trajectory data and codes were generated for our work "Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation" (amidst peer review process). The data sets contain trajectory data in GSD file format for 7 test systems, including cubic structures, two-dimensional and three-dimensional patchy particle shape systems, hexagonal bipyramids with two aspect ratios, and truncated shapes with two degrees of truncation. Besides, the corresponding Python code and Jupyter notebook used to perform data augmentation, MLP classifier training, and MLP classifier testing are included.

Keyword:

Machine Learning, Colloids Self-Assembly, Crystallization, and Order Parameter

Citation to related publication:

https://doi.org/10.48550/arXiv.2312.11822

Discipline:

Other, Science, and Engineering