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molecule generation

81 papers

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Co-occurring keywords · papers mentioning both

diffusion model (20) generative model (18) drug discovery (16) variational autoencoder (10) graph neural network (10) drug design (8) graph generation (8) latent space (7) binding affinity (6) molecular generation (5)

Papers

NEVAE: A Deep Generative Model for Molecular Graphs JMLR 2020 A Model to Search for Synthesizable Molecules NeurIPS 2019 Discrete Object Generation with Reversible Inductive Construction NeurIPS 2019 Molecular Hypergraph Grammar with Its Application to Molecular Optimization ICML 2019 Constrained Graph Variational Autoencoders for Molecule Design NeurIPS 2018 Grammar Variational Autoencoder ICML 2017