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Recent advances in generative models have made exploring design spaces easier for de novo molecule generation.
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“Generative adversarial networks”
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“Combating Mode Collapse in GAN training: An Empirical Analysis using Hessian Eigenvalues”
Ricard Durall, Avraam Chatzimichailidis, Peter Labus and Janis Keuper · 2020
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Later among the works it cites.
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“E (n) Equivariant Normalizing Flows for Molecule Generation in 3D”
Victor Satorras et al · 2021
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“Catastrophic forgetting and mode collapse in GANs”
Hoang Thanh-Tung and Truyen Tran · 2020
Cited alongside, same era.
“Improved techniques for training score-based generative models”
Yang Song and Stefano Ermon · 2020
Cited alongside, same era.
“Flow-Based Models for Active Molecular Graph Generation”
Nathan Frey and Bharath Ramsundar
Cited in the paper.
Prafulla Dhariwal and Alex Nichol · 2021
Later among the works it cites.