RosettaCommons / RosettaCommons/RFdiffusion
RuntimeWarning: divide by zero
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- Dominant language
- Python
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Description
How do you think I could fix this error? (non-developer user)
.../RFdiffusion/rfdiffusion/diffusion.py:507: RuntimeWarning: divide by zero encountered in divide
Score_approx = R_0t_rotvec * (self.score_norm(t, Omega) / Omega)[:, None]
...RFdiffusion/rfdiffusion/diffusion.py:507: RuntimeWarning: invalid value encountered in multiply
Score_approx = R_0t_rotvec * (self.score_norm(t, Omega) / Omega)[:, None]
The job is continued but X/Y/Z coordinate values in the the output PDB file are not finite numbers
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First steps
- Read the whole issue, then the project's contributing guide.
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Research direction
Start by reading rfdiffusion/diffusion.py around line 507, where the divide-by-zero and invalid multiply warnings occur. Reproduce the reported run if possible and trace the values of Omega and the resulting Score_approx. Done means the job no longer produces non-finite X/Y/Z coordinates in the output PDB file.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- bioinformatics, machine-learning
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 35/100