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托罗索引器:基于PyTorch的索引算法,用于千赫兹串行晶体学

Piero Gasparotto1, Luis Barba2, Hans-Christian Stadler1

  • 1Scientific Computing Division, Paul Scherrer Institute, Villigen, Switzerland.

Journal of applied crystallography
|August 7, 2024
PubMed
概括

一个名为TORO (Torch-powered robust optimization) 的新算法 Indexer 加快了序列结晶学 (SX) 数据处理的速度. 这种GPU加速工具提高了索引速度和蛋白质结构确定数据质量.

关键词:
PyTorch索引器可以使用PyTorch.这是一个火脚本.获得X射线图像的X射线图像采集宏分子晶体学 宏分子晶体学实时索引算法的算法强大的优化优化.连续晶体学是指连续的晶体学.

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X-ray Crystallography02:18

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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