Details
- BindCraft is an end-to-end solution for protein binder design.
- BindCraft was widely used by participants in a recent blind evaluation (Adaptyv Bio) of protein binder design tools.
- Several independent groups generated de novo designed binders with competitive affinity to the natural ligand using the BindCraft tool.
- BindCraft tool is available within a NextFlow workflow to support portable deployment.
Warning: Native BindCraft tool requires PyRosetta as a filter with non-commercial license.
Completed
- Wrap the BindCraft tool in a Nextflow workflow (bindflow).
- Add support for parallel execution across multiple GPUs.
- Negotiate PyRosetta license for non-commercial use at NCI.
- Output partial results when HPC scheduler jobs time out.
In Progress
- Install workflow at NCI.
- Release BindCraft fork without PyRosetta dependency.
- Release BindCraft fork with open-source replacements for PyRosetta filters.
Future
- OpenOnDemand app for running BindCraft from a graphical web interface.
Senior Research Associate, Structural Biology Facility UNSW
Product Manager, Australian BioCommons