Skip to content

[Idea] Alternative lattices to regular grid #76

@rubenhorn

Description

@rubenhorn

Preliminary work shows that hexagonal (2D), as well as BCC and FCC (3D) lattices significantly impact the number of required samples and structure of the optimal solution.

Another parameter should be added:

p_2d = Protein("HPPHPPH", dim=2, lattice="triangular")
p_3d = Protein("HPPHPPH", dim=3, lattice="bcc")
p_3d = Protein("HPPHPPH", dim=3, lattice="square") # default, already implemented

This feature requires significant amounts of non-trivial changes to prospr_core and the visualization code.
Encoding of folds should be changed from signed integers to capitalized characters (e.g. $\pm1\rightarrow \texttt{A},\texttt{a}$).

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions