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@orbeckst orbeckst released this 02 Jul 06:28
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Supplementary Information for SAMPL7 Physical Properties challenge and the paper

Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules. Shujie Fan, Hristo Nedev,  Ranjit Vijayan, Bogdan I. Iorga, Oliver Beckstein. Journal of Computer-Aided Molecular Design 2021, doi: 10.1007/s10822-021-00407-4

(Release 1.1 only updates metadata)

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