Predictiong Ground-state with Novel Quantum Descriptor of Molecules using QML

Qhack Open Hackathon

Packages

Pennylane, Qiskit, PyTorch, etc.

Tutorial & PresentationCancel changes

Refer to QNNP_Tutorial.ipynb

Demonstration

Our main project directory is QNNP. Try running pauli_moment.py in that directory as,

python3 ./QNNP/pauli_moment.py

you can adjust size of batch, epochs, and number of qubit used by changing global variables; batchs, epochs, n_qubit.

Method

PennyLane pauli_moment.py

Qiskit pauli_moment-qiskit.py