The whole infrastructure we're engineering here can be easily generalized to support the DiamondMX/XChem fragment screening campaigns, which field 10-20 projects/year on new targets. We should be able to easily generalize our work to automate supporting the selection of Enamine REALSpace compounds via Folding@home in future, even beyond the Moonshot.
We can transfer the repo to http://github.com/foldingathome and rename it xchem-infrastructure at some point to reflect this.
The whole infrastructure we're engineering here can be easily generalized to support the DiamondMX/XChem fragment screening campaigns, which field 10-20 projects/year on new targets. We should be able to easily generalize our work to automate supporting the selection of Enamine REALSpace compounds via Folding@home in future, even beyond the Moonshot.
We can transfer the repo to http://github.com/foldingathome and rename it
xchem-infrastructure
at some point to reflect this.