QuPepFold: Quantum peptide folding simulations with Qiskit
Project description
QuPepFold
Quantum peptide‐folding simulations built on Qiskit.
Installation
pip install qupepfold
OR
git clone https://github.com/yourusername/qupepfold.git
cd qupepfold
pip install
from qupepfold import generate_turn2qubit, protein_vqe_objective
seq = "HHPHPH"
fixed, fb, vb = generate_turn2qubit(seq)
result = protein_vqe_objective(
protein_sequence=seq,
hyperParams={…}
)
print(result)
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