Archived information/files for the SAMPL2 challenge
The SAMPL2 evaluation was carried out in the spring of 2009, organized by OpenEye, and discussed at a workshop help at McGill University in Montreal in June of 2009.
The participants were required to predict solvation energies and tautomer ratios.
The papers covering the results of the challenge were published in a special issue of Journal of Computer-Aided Molecular Design.
Overview paper: DOI • Full-text
Input files provided to participants:
This material here is made available under CC-BY and MIT licenses, as appropriate:
- MIT for all software/code
- CC-BY 4.0 for all other materials