Applying LIS to RFDiffusion Binder Design Filtering
amelie-iska opened this issue · comments
Hi! Thanks for the awesome work. I just thought it might be a good idea to update the pAE method for filtering protein binders designed by RFDiffusion to use the LIS score. For more info, see this issue in the RFDiffusion GitHub:
RosettaCommons/RFdiffusion#211
I'm happy to help out a little and discuss.
Hi! I am thinking applying LIS to filter my deigned binders. After dl_binder_design/mpnn_fr/dl_interface_design.py, I get a set of .pdb files. However, I find I also need .json files in AFM-LIS.
Could I ask how to calculate LIS and LIA only with .pdb files?
LIS and LIA calculation needs PAE information, which is in json file (colabfold) or pkl file (original alphafold-multimer). Unfortunately, without json of pkl files, LIS and LIA can't be calculated.
… On Jun 4, 2024, at 9:16 PM, Huilin-Li ***@***.***> wrote:
Hi! I am thinking applying LIS to filter my deigned binders. After dl_binder_design/mpnn_fr/dl_interface_design.py, I get a set of .pdb files. However, I find I also need .json files in AFM-LIS.
Could I ask how to calculate LIS and LIA only with .pdb files?
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