Right now, the README explains what AtomDB does, but it could be more beginner-friendly. Adding simple code examples and real-world use cases will help new users quickly understand how to use the library and why it’s useful.
Proposed Improvements:
- Code Examples in the Functionality Section
Like Showing how to retrieve atomic properties, calculate electron density, and use promolecular models.
from atomdb import AtomDB
atom = AtomDB.get_element("O") # Get Oxygen properties
print(atom.atomic_mass, atom.ionization_potential)
- Add links to the full API docs for deeper exploration.
Adding another section - "How People Use AtomDB"
Highlight practical applications, such as:
- Computational Chemistry – Using atomic data for simulations.
- Material Science – Estimating molecular properties.
- Machine Learning – Training AI models with atomic behavior predictions.
Why this important ?
- Makes it easier for new users to get started.
- Shows AtomDB’s real-world impact.
- Encourages more people to use and contribute to the project.
Would love to hear your point of view on this !
Right now, the README explains what AtomDB does, but it could be more beginner-friendly. Adding simple code examples and real-world use cases will help new users quickly understand how to use the library and why it’s useful.
Proposed Improvements:
Like Showing how to retrieve atomic properties, calculate electron density, and use promolecular models.
Adding another section - "How People Use AtomDB"
Highlight practical applications, such as:
Why this important ?
Would love to hear your point of view on this !