This repository contains all input data and results from the entry to the SAMPL5 challenge of the Michellab.
A detailed description can be found in two publications:
- Blinded predictions of distribution coefficients in the SAMPL5 challenge, S. Bosisio, A. S. J. S. Mey, J. Michel
- Blinded predictions of host-guest standard free energies of binding in the SAMPL5 challenge, S. Bosisio, A. S. J. S. Mey, J. Michel
More details about the challenge can be found here.