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Molecular Graph Generation

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Graph Residual Flow for Molecular Graph Generation

ICLR 2020 pfnet-research/chainer-chemistry

Statistical generative models for molecular graphs attract attention from many researchers from the fields of bio- and chemo-informatics.

GRAPH GENERATION MOLECULAR GRAPH GENERATION

GraphNVP: An Invertible Flow Model for Generating Molecular Graphs

28 May 2019pfnet-research/chainer-chemistry

We propose GraphNVP, the first invertible, normalizing flow-based molecular graph generation model.

GRAPH GENERATION MOLECULAR GRAPH GENERATION

Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation

NeurIPS 2018 bowenliu16/rl_graph_generation

Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research.

GRAPH GENERATION MOLECULAR GRAPH GENERATION