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pro vyhledávání: '"Abeer, A N M Nafiz"'
Enhancing Generative Molecular Design via Uncertainty-guided Fine-tuning of Variational Autoencoders
In recent years, deep generative models have been successfully adopted for various molecular design tasks, particularly in the life and material sciences. A critical challenge for pre-trained generative molecular design (GMD) models is to fine-tune t
Externí odkaz:
http://arxiv.org/abs/2405.20573
Deep generative models have been accelerating the inverse design process in material and drug design. Unlike their counterpart property predictors in typical molecular design frameworks, generative molecular design models have seen fewer efforts on u
Externí odkaz:
http://arxiv.org/abs/2405.00202
Molecular design based on generative models, such as variational autoencoders (VAEs), has become increasingly popular in recent years due to its efficiency for exploring high-dimensional molecular space to identify molecules with desired properties.
Externí odkaz:
http://arxiv.org/abs/2203.00526