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molecular generation

78 papers

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Co-occurring keywords

diffusion model (3751) drug design (28) drug discovery (119) graph neural network (3962) variational autoencoder (1288) generative model (2892) reinforcement learning (4352) equivariant neural network (75) protein structure (59) molecule generation (58)

Papers

Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules NIPS 2019
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation NIPS 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation ICML 2018