Current challenges

SAMPL7 has now concluded, but the physical properties special issue is open for submission. We recently launched some of the SAMPL8 challenges on host-guest binding, with our current challenge focusing on several guests binding to Gibb deep-cavity cavitands (GDCCs) (predictions due Feb. 4); a CB8 challenge has already concluded.

Challenges recently closed:

SAMPL7 challenges

Our SAMPL7 host-guest virtual workshop is available at this DOI: 10.5281/zenodo.3674155

Details of these are available on the SAMPL7 GitHub repository.

SAMPL8 challenges

Details of these are available on the SAMPL8 GitHub repository.

Upcoming challenges

Several additional challenges are planned as part of the SAMPL8 series. We recently finalized work with GSK on data collection for a partitioning challenge, and with NCATS on data collection for potential protein-ligand binding challenges (including on NanoLuc binding). The GSK challenge will be part of SAMPL8, with additional details forthcoming at our Nov. 2020 workshop. Details of teh NanoLuc challenge are still being worked out with NCATS. See our roadmap pages for more details.

Note that, in contrast to SAMPL0-5, the SAMPL numbering system now corresponds to phases rather than individual challenges. So, rather than corresponding to a single challenge with a single deadline, SAMPL7 and onward involve multiple component challenges with multiple deadlines.