Current challenges

The SAMPL8 Physical Properites and Host-guest challenges are closed but, the SAMPL8 Physical Properties special issue still open for submission. Deadline TBA.

As a part of SAMPL8, we are also planning test run of a containerized docking method challenge using Docker containers; for more information, please see our containerized docking tutorial.

Challenges recently closed:

SAMPL8 challenges

Host-guest challenges:

Details of these are available on the SAMPL8 GitHub repository.

The SAMPL8 physical properties challenge:

We recently finalized work with GSK on data collection for a physical properties challenge. The data recently cleared legal review at GSK and the challenge is live. We have collected:

We will first run a pKa prediction challenge on the 24 compounds, and then a logD challenge. Deadlines are in summer 2021; refer to the SAMPL8 GitHub repository for details.

SAMPL7 challenges

SAMPL7 has now concluded, and the physical properties special issue is closed for submission.

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.

Upcoming challenges

Details of the 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.