Future

The comp-chem team at ASAP is seeking to productize our workflows into individual pieces that are of use to the community on their own and without any commercial licenses required for their backends.

We are actively looking for collaborations in these spaces. If you are interested please raise an issue on the repo, or contact hugo.macdermott@choderalab.org or jenke.scheen@choderalab.org.

Our current aims are:

• Spin out ASAP-Alchemy into a standalone product

• Generalize asapdiscovery such that it works with arbitrary targets.

• Spin out our fitness viewer and HTML interactive visualizer into their own product (work ongoing in choppa)