Paper Published: ZMPY3D

12/17 

Structural superposition from point clouds to gridded voxels.
(2024) Bioinformatics Advances 4: vbae111 doi: 10.1093/bioadv/vbae111

This application note presents a Python-based software package, ZMPY3D, to accelerate computation of 3D Zernike moments by vectorizing the mathematical formulae and using graphical processing units (GPUs). The package offers popular GPU-supported libraries such as CuPy and TensorFlow together with NumPy implementations, aiming to improve computational efficiency, adaptability, and flexibility in future algorithm development

ZMPY3D, implemented in Python, is available on GitHub and PyPI, released under the GPL License.

ZMPY3D: accelerating protein structure volume analysis through vectorized 3D Zernike moments and Python-based GPU integration
Jhih-Siang Lai, Stephen K. Burley, Jose M. Duarte
(2024) Bioinformatics Advances 4: vbae111 doi 10.1093/bioadv/vbae111

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