/tools/ChemGAN-challenge
ChemGAN-challenge
benstaf/ChemGAN-challenge
summary
ChemGAN challenge provides code for a study on using AI to reproduce natural chemical diversity for drug discovery. It employs generative models to design and generate molecules, making it a valuable resource in the field of computational chemistry.
description
Code for the paper: ChemGAN challenge for drug discovery: can AI reproduce natural chemical diversity? arXiv preprint arXiv:1708.08227.
topics
artificial-intelligencegenerative-adversarial-networkreinforcement-learningdrug-discoveryrecurrent-neural-networksdeep-learningmachine-learningchemistry
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