GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation

26 Jan 2020Chence ShiMinkai XuZhaocheng ZhuWeinan ZhangMing ZhangJian Tang

Molecular graph generation is a fundamental problem for drug discovery and has been attracting growing attention. The problem is challenging since it requires not only generating chemically valid molecular structures but also optimizing their chemical properties in the meantime... (read more)

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