poli.objective_repository.rasp.isolated_function

This module implements Rapid Stability Predictions (RaSP), using their open-source code [1].

From a bird’s eye view, RaSP is a black box that starts with a collection of wildtype pdb files, and assesses the stability of a (single-site) mutant. For the informed reader, this black box can be considered a drop-in replacement of FoldX, or Rosetta.

[1] “Rapid Protein Stability Prediction Using Deep Learning Representations.” Blaabjerg, Lasse M, Maher M Kassem, Lydia L Good, Nicolas Jonsson, Matteo Cagiada, Kristoffer E Johansson, Wouter Boomsma, Amelie Stein, and Kresten Lindorff-Larsen. Edited by José D Faraldo-Gómez, Detlef Weigel, Nir Ben-Tal, and Julian Echave. eLife 12 (May 2023): e82593. https://doi.org/10.7554/eLife.82593.

Classes

RaspIsolatedLogic(wildtype_pdb_path[, ...])

RaSP internal implementation.