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pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data

Ardita Shkurti, Josep Ramón Goñi, Pau Andrio, Elena Breitmoser, Iain Bethune, Modesto Orozco, Charles A. Laughton. pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data. SoftwareX, 5:44-50, 2016. [doi]

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Ardita Shkurti

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Josep Ramón Goñi

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Pau Andrio

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Elena Breitmoser

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Iain Bethune

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Modesto Orozco

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Charles A. Laughton

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