AtomNet: A Deep Convolutional Neural Network for Drug Discovery

5 points by chrisprobert 10 years ago | 3 comments

aheifets 10 years ago |

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

webmaven 10 years ago | |

Is there an open source implementation?

aheifets 10 years ago | | |

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/