A community-powered search of machine learning strategy space to find NMR property prediction models

13 Aug 2020Lars A. BratholmWill GerrardBrandon AndersonShaojie BaiSunghwan ChoiLam DangPavel HancharAddison HowardGuillaume HuardSanghoon KimZico KolterRisi KondorMordechai KornbluthYouhan LeeYoungsoo LeeJonathan P. MailoaThanh Tu NguyenMilos PopovicGoran RakocevicWalter ReadeWonho SongLuka StojanovicErik H. ThiedeNebojsa TijanicAndres TorrubiaDevin WillmottCraig P. ButtsDavid R. GlowackiKaggle participants

The rise of machine learning (ML) has created an explosion in the potential strategies for using data to make scientific predictions. For physical scientists wishing to apply ML strategies to a particular domain, it can be difficult to assess in advance what strategy to adopt within a vast space of possibilities... (read more)

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