NVIDIA-BioNeMo / NVIDIA-BioNeMo/Proteina-Complexa
Non-standard amino acid
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- Dominant language
- Python
- Stars
- 432
- Forks
- 78
- Avg merge
- 10d 46m
- Merged PRs (30d)
- 1
Description
Hello, and thank you for the amazing work.
I was wondering if there is an approach to introduce a non-standard amino acid into the pipeline to design a binder for a target that contains it. Or is it even possible to use a crop region to work around and run the AME, or even the ligand pipeline (peptide binder), in this case?
Thank you in advance!
Contributor guide
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First steps
- Read the whole issue, then the project's contributing guide.
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Research direction
No files, tests, or entry points are named. Start by reading the pipeline documentation and the residue or ligand handling paths, then determine whether non-standard amino acids and crop-region workflows are supported; done means documenting the supported approach or defining the required pipeline changes.
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
- Quiet
- Clarity
- Needs clarification
- Newbie friendliness
- 35/100