AtomNet: A Deep Convolutional Neural Network for Drug Discovery (opens in new tab)

(arxiv.org)

5 pointschrisprobert10y ago3 comments

3 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/

j / k navigate · click thread line to collapse

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/

j / k navigate · click thread line to collapse