Hi,
I have been struggling to design binders against my protein and have been getting poor metrics. As a result, I decided to optimize the noise_scale and step_scale parameters.
While evaluating designs based on iPTM, iPAE, and RMSD, I also want to ensure that I am generating sufficient diversity among the designs. However, I have not been able to find any diversity-related metric in the Excel output files. In the PDF reports, I can see diversity information, but it appears to be combined with other metrics.
Could you please let me know how I can calculate diversity, or where I can find the underlying diversity values for designs generated with specific noise_scale and step_scale settings?
Thank you for your help.
Dhiraj
Hi,
I have been struggling to design binders against my protein and have been getting poor metrics. As a result, I decided to optimize the noise_scale and step_scale parameters.
While evaluating designs based on iPTM, iPAE, and RMSD, I also want to ensure that I am generating sufficient diversity among the designs. However, I have not been able to find any diversity-related metric in the Excel output files. In the PDF reports, I can see diversity information, but it appears to be combined with other metrics.
Could you please let me know how I can calculate diversity, or where I can find the underlying diversity values for designs generated with specific noise_scale and step_scale settings?
Thank you for your help.
Dhiraj