config.toml

# The configuration file for protein folding problem

# The amino acids sequence that form a protein.
# Valid amino acid labels are (https://en.wikipedia.org/wiki/Amino_acid):
# C: Cysteine
# M: Methionine
# F: Phenylalanine
# I: Isoleucine
# L: Leucine
# V: Valine
# W: Tryptophan
# Y: Tyrosine
# A: Alanine
# G: Glycine
# T: Threonine
# S: Serine
# N: Asparagine
# Q: Glutamine
# D: Aspartate
# E: Glutamate
# H: Histidine
# R: Arginine
# K: Lysine
# P: Proline
# NOTE: the more amino acids in the sequence, the longer program will run
# NOTE: the example below takes approximately 0.5h!
amino_acids = ["A", "P", "R", "L", "R", "F", "Y"]
# Pair of indices indicates the potentially interact amino acide pair, below indicates that
# the 0-th and 5-th acids will interact and 1-th and 6-th acids will interact.
possible_contractions = [[0, 5], [1, 6]]
# Depth of the quantum circuit used in VQE
depth = 1
# Number of VQE iterations
num_iterations = 200
# The condition for VQE convergence
tol = 1e-3
# The number of steps between two consecutive loss records
save_every = 10
# learning rate for the optimizer
learning_rate = 0.5