HQNN-BindingAffinity

Hybrid Quantum Neural Network Approaches to Protein–Ligand Binding Affinity Prediction

Folders

./src/ : The classical and hybrid quantum classical models

./data/: All datasets

./run/: Output predictions

./export/: TensorBoard exports

Requirements:

Python 3.9.19

PyTorch 2.2.2

PennyLane 0.31.0