bjing2016 / eigenfold Goto Github PK
View Code? Open in Web Editor NEWEigenFold: Generative Protein Structure Prediction with Diffusion Models
License: MIT License
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engelberger kimdn superxiang aditishenoy oomycota1 lilleswing hengma1001 aih-proj wang-cr cuidachao fundou kehan777 nickdst julywater teletchealab lyndonlens eunos-1128 biogeeker leafydriftwood alccs23 chunhui-shi ringhalsun femolami amelie-iska aichaosmind wanggaaeigenfold's Issues
Adding description to parameters
Hi,
Looks like a very interesting work! I installed it with no problem. Now I am trying to run it (now only with default parameters), and have a couple of questions/requests:
- could you add description in argparse for different parameters?
- can eigenfold handle multiple chains?
- can a template for part of the structure can be used?
Thank you!
The distance between adjacent alpha carbons is not 3.8 A from the Prior
Hi,
I have a problem.
When I sample many samples(at least 10000) from the Hamonic Prior, the mean distance of adjacent alpha carbons is not approximately 3.8A as said in this paper.
Disscusion of results
Hi, Bowen. First of all, thank you for sharing such an interesting work! This is the idea I have in mind for so long and you implemented it. Good for you! I have a few questions to disscuss with you.
- Is there a preprint paper of EigenFold for us to read the details?
- Have you try to evaluate EigenFold in protein structure prediction setting? For example, comparing lddt with ESMFold.
- Can EigenFold sample fold-switch structures?
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