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Re: Why is clustering limited up to 10000 molecules? [message #78 is a reply to message #75]

Thu, 23 July 2015 21:40

thomas
Messages: 655
Registered: June 2014

Senior Member

Clustering is a very old functionality and not used very often. The used algorithm is reproducible and is not based on random starting point as other faster algorithms. The flipside, however, is that is not a particularly fast one and its memory consumption and processor usage grow quadratic with the size of the data file. Without a limit people would experience error messages or extreme processing times causing lots of frustration. I am aware that DataWarrior needs an alternative clustering algorithm and it is on the feature list for the future, but till now I considered clustering low priority, because often there are better methods to reach a certain goal.

Kind regards, Thomas

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[Message index]

		Why is clustering limited up to 10000 molecules? By: Nastasia on Wed, 22 July 2015 16:37
		Re: Why is clustering limited up to 10000 molecules? By: thomas on Thu, 23 July 2015 21:40
		Re: Why is clustering limited up to 10000 molecules? By: avkitex on Sun, 28 February 2016 19:03
		Re: Why is clustering limited up to 10000 molecules? By: thomas on Thu, 03 March 2016 21:49
		Re: Why is clustering limited up to 10000 molecules? By: avkitex on Thu, 03 March 2016 21:54
		Re: Why is clustering limited up to 10000 molecules? By: thomas on Fri, 04 March 2016 22:24
		Re: Why is clustering limited up to 10000 molecules? By: dataviz on Wed, 22 March 2017 11:34
		Re: Why is clustering limited up to 10000 molecules? By: thomas on Thu, 30 March 2017 20:35
		Re: Why is clustering limited up to 10000 molecules? By: E3ubiquitinligase on Thu, 10 January 2019 21:46
		Re: Why is clustering limited up to 10000 molecules? By: thomas on Fri, 11 January 2019 00:00
		Re: Why is clustering limited up to 10000 molecules? By: E3ubiquitinligase on Fri, 11 January 2019 07:21

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