AtomNet: A Deep Convolutional Neural Network for Drug Discovery

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	AtomNet: A Deep Convolutional Neural Network for Drug Discovery (arxiv.org)
	5 points by chrisprobert 3905 days ago

1 comments

Thanks for the link! I answered some questions about our technique earlier (https://news.ycombinator.com/item?id=9157777 ), which may help elucidate context.

Is there an open source implementation?

AutoDock Smina is referenced in the paper, and its source is available under GPLv2: http://sourceforge.net/projects/smina/

If you're interested in open source for deep learning, there are a number of toolkits here: http://deeplearning.net/software_links/