RosettaCommons / RosettaCommons/foundry
Small molecule binder design
Open
Nobody has claimed this yet.
- Dominant language
- Python
- Stars
- 966
- Forks
- 181
- Avg merge
- 4d 4h
- Merged PRs (30d)
- 2
Description
When performing small molecule binder design using rfd3, can the results from docking be utilized? Since the small molecule I'm using is custom-designed, I aim to design a protein that will encapsulate it.
Contributor guide
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
The issue mentions rfd3, docking results, and custom small-molecule binder design but names no files, tests, or entry points. First determine whether rfd3 can accept docking results and what integration is required. Done would require a defined, validated way to use docking results for this design workflow.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- bioinformatics, machine-learning
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100