/delta G scorer code

[Yaoyaolingbro]

How can I singly run the /delta G scorer code? or where is it? (If I can extract it)

[kxz18]

We have provided two methods to score ddG instead of dG. One is through an end-to-end deep neural network, the codes of which is here and depend on the modules here. Another one uses foldx to predict dG of the wild type and the mutant, and calculate the difference as ddG. The codes for using foldx is here, but you need to first download the executable binary of foldx from its official website. Also, it is recommended to first use openmm to relax the structure, and then use foldx to optimize the structural energy.

[Yaoyaolingbro]

Thanks for your patient reply!