SAMPL7 logP data
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
All data are published under the open data MIT License. Please see the file LICENSE for details.