Anna Kelmanson (@kelmannson) profile picture

Anna Kelmanson

@kelmannson
Joined May 2023
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Anna Kelmanson retweeted
LIAC at EPFL (@SchwallerGroup) profile picture
LIAC at EPFL@SchwallerGroup7 Dec 2024
Another great #Ellis workshop on ML for Molecular Discovery. Thanks to @gklambauer, @fra_grisoni, and the whole organizing team! Proud of our team's contributions - 3 posters (@d_armstr, @kelmannson, @ZJoncev) and an excellent talk by @SarinaKopf! Very well done! #compchem
Image from LIAC at EPFL (@SchwallerGroup)
Image from LIAC at EPFL (@SchwallerGroup)
Image from LIAC at EPFL (@SchwallerGroup)
Image from LIAC at EPFL (@SchwallerGroup)
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Anna Kelmanson retweeted
Jeff Guo (@JeffGuo__) profile picture
Jeff Guo@JeffGuo__18 Jun 2024
Check out our review on molecular generative models out in @NatMachIntell! nature.com/articles/s42256-0… The first molecular generative model for small molecule design was published in 2016. Since then, there has been a surge of works tackling this problem.
Machine learning-aided generative molecular design

Machine learning-aided generative molecular design

Nature Machine Intelligence - Data-driven generative methods have the potential to greatly facilitate molecular design tasks for drug design.

nature.com
Yuanqi Du (@YuanqiD) profile pictureYuanqi Du
@YuanqiD18 Jun 2024
🧵1/7 Introducing an “Encyclopedia” of Molecular Design with Machine Learning @NatMachIntell! nature.com/articles/s42256-0… Collaboration with @arian_jamasb*, @JeffGuo__*, @TianfanFu, @charlieharris01, @yingheng_wang, @chenru_duan, @pl219_Cambridge, @pschwller, and Tom Blundell.
Machine learning-aided generative molecular design

Machine learning-aided generative molecular design

Nature Machine Intelligence - Data-driven generative methods have the potential to greatly facilitate molecular design tasks for drug design.

nature.com
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