/tools/Deep-Drug-Coder
Deep-Drug-Coder
pcko1/Deep-Drug-Coder
summary
Deep-Drug-Coder is a generative neural network designed for de novo drug design, utilizing a conditional recurrent neural network to generate SMILES strings based on specified molecular properties. It aims to facilitate the generation of molecules that meet desired bioactivity criteria, making it a valuable tool in the field of drug discovery.
description
A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.
topics
drug-discoveryneural-networkdenovo-designlstm-neural-networksautoencoderssmiles-stringsmolecules
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