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A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations
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README.md

brainpy

A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations

This is a direct translation of Han Hu's root-finding-free approach.

Original Algorithm:

P. Dittwald, J. Claesen, T. Burzykowski, D. Valkenborg, and A. Gambin, “BRAIN: a universal tool for high-throughput calculations of the isotopic distribution for mass spectrometry.,” Anal. Chem., vol. 85, no. 4, pp. 1991–4, Feb. 2013.

Original Implementation:

H. Hu, P. Dittwald, J. Zaia, and D. Valkenborg, “Comment on ‘Computation of isotopic peak center-mass distribution by fourier transform’.,” Anal. Chem., vol. 85, no. 24, pp. 12189–92, Dec. 2013.

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