| title |
Community Access to BindCraft |
| description |
Increasing community access to an end-to-end solution for protein binder design. |
| type |
activity_in_progress |
| roadmap |
A shared platform, or platforms (Roadmap D3Ac) |
| roadmap_category |
D3 |
| contributors |
Ziad Al-Bkhetan |
Thomas Litfin |
|
| toc |
false |
- 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.
{% include callout.html type="warning" content="Native BindCraft tool requires PyRosetta as a filter with non-commercial license." %}
- 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.
- Install workflow at NCI.
- Release BindCraft fork without PyRosetta dependency.
- Release BindCraft fork with open-source replacements for PyRosetta filters.
- OpenOnDemand app for running BindCraft from a graphical web interface.