RosettaCommons / RosettaCommons/RFdiffusion
PAE interaction score
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Description
Were trying to get an pae_interaction less that 10, but when we put the contig as A100-200/0 70-100 we get i_pae (we assume its the pae_interaction score) as around 26, but when we use contig of 70-100 we get a pae as under 10, but no i, so we are unsure whether that is the interaction, binder, or target score.
There are 2 example Contigs we used:
A100-200/ 0 70-100:
design:0 n:0 mpnn:1.169 plddt:0.859 i_ptm:0.069 i_pae:26.417 rmsd:32.305
70-100:
design:0 n:2 mpnn:0.986 plddt:0.944 ptm:0.765 pae:3.135 rmsd:1.291
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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
Start with the two contig examples in this issue and determine how i_pae, pae, i_ptm, and ptm are defined in RFdiffusion's documentation or output code. Done means clearly identifying which values represent interaction, binder, and target scores, and documenting the distinction.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- machine-learning
- Issue type
- Documentation
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 30/100