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"ANI-1: A data set of 20M off-equilibrium DFT calculations for organic ..."

Justin S. Smith, Olexandr Isayev, Adrian E. Roitberg (2017)

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DOI: —

access: open

type: Informal or Other Publication

metadata version: 2018-08-13

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  - electronic edition @ arxiv.org (open access)
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  dblp key:
  - journals/corr/abs-1708-04987
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  persistent URL:
  - https://dblp.org/rec/journals/corr/abs-1708-04987
Justin S. Smith, Olexandr Isayev, Adrian E. Roitberg:
ANI-1: A data set of 20M off-equilibrium DFT calculations for organic molecules. CoRR abs/1708.04987 (2017)

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