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Conformers Dataset

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posted on 2019-05-13, 21:33 authored by Lucian ChanLucian Chan, Geoffrey Hutchison, Garrett Morris
Dataset for the publication: Bayesian Optimization for Conformer Generation

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    Keywords

    bayesian optimizationConformer Generation MethodsTorsion Anglemolecular energiesCheminformaticsComputational Chemistry

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    CC BY 4.0

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