martinpacesa / martinpacesa/BindCraft
Ligands entities
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- Dominant language
- Python
- Stars
- 1.2k
- Forks
- 278
- PR merge metrics
- No merged PRs in 30d
Description
Hi all,
I am not sure if BindCraft is able to generate binders against a protein with a ligand, taking into account the ligand during the inference. Is that so? If it is not, are you planning on adding this for BindCraft2. I think that this will be a good add-on as many proteins rely on ligands to perform their catalytic activites, changing their conformation even after ligand binding. So maybe designing binders against the apo-enzyme will not serve if this is not the real situation in the cell.
Looking forward to your answers, great job indeed, I try to follow you in every binder design competition.
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Research direction
No file, test, or entry point is named. Start by reviewing the Python inference pipeline and its current handling of protein inputs to determine whether ligand-bound structures are supported. The issue needs a concrete scope and acceptance criteria before completion can be assessed.
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Assessment
- Tech stack
- python
- Domain
- bioinformatics
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Quiet
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100