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molecular design
molecular design
26 papers
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Co-occurring keywords
drug discovery
(119)
molecular generation
(78)
graph neural network
(3962)
generative model
(2892)
property prediction
(38)
drug design
(28)
bayesian optimization
(624)
reinforcement learning
(4352)
deep generative model
(143)
genetic algorithm
(109)
Papers
Guiding Deep Molecular Optimization with Genetic Exploration
NIPS 2020
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