YanLiu

A Ph.D. candidate from ZJU focus on machine learning / reaction engineering / quantum chemistry / cheminformatics

代表作品 / 项目

RDMC⭐ 32Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.
NetGen-Py⭐ 6
NetGen-qm⭐ 4
RxnUncertainty_paper⭐ 2
ReactRanker⭐ 2A Learning to Rank Package for Ranking Chemical Reactions

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