poli.core.proteins.foldx_black_box

This module implements the FoldX black box and objective factory.

FoldX [1] is a simulator that allows for computing the difference in free energy between a wildtype protein and a mutated protein.

References

[1] The FoldX web server: an online force field.

Nucleic acids research Schymkowitz, J., Borg, J., Stricher, F., Nys, R., Rousseau, F., & Serrano, L. (2005). , 33(suppl_2), W382-W388.

Classes

FoldxBlackBox([info, batch_size, ...])

A class representing the FoldxBlackBox, which is used for simulating protein mutations using FoldX.