Skip to content

Interactive Notebooks

While the Streamlit app provides a fast, playground-style experience, our Guided Discovery Notebooks are designed for deeper educational exploration.

These notebooks interleave theoretical narrative with executable code, allowing students to "look under the hood" of the quantum engine.

Google Colab Integration

Every notebook in our library includes a "Open in Colab" badge. This allows students to run full quantum chemistry simulations directly in their browser without any local setup.

Available Notebooks

  1. 01: The Hydrogen Bond
  2. Learn about constructive and destructive interference.
  3. Visualize bonding and anti-bonding orbitals in \(H_2\).

Using the Library in Your Own Notebooks

You can use the orbital-play engine and visualizer in any Jupyter environment:

!pip install orbital-play pyscf py3Dmol

from orbital_play import engine, show_orbital

# 1. Define geometry
geo = engine.generate_geometry("H2O", dist=0.96, angle=104.5)

# 2. Run calculation
mol, mf = engine.run_calculation(geo)

# 3. Visualize HOMO
cube = engine.generate_cube_string(mol, mf, mo_index=4)
show_orbital(mol, cube)
) ```