AtomicsPy

AtomicsPy is a Python library that offers versatile tools for working with chemical data and compounds. As a Python port of the Atomic project, AtomicsPy aims to simplify chemical data manipulation and analysis for researchers, educators, and students.

Features

• Load and manipulate chemical compounds from CSV and JSON files.
• Generate molecular data and perform a variety of chemical calculations.
• User-friendly interface for accessing chemical properties and structures.

Installation

To install atomicspy, use pip in your terminal or command prompt:

pip install atomicspy

Requirements

• Python 3.6 or higher
• Dependencies: Ensure you have all required packages specified in requirements.txt.

Usage

After installation, you can start using AtomicsPy in your Python scripts. For convenience, you can import it with an alias:

import atomicspy as atomic

Example

import atomicspy as atomic

# Load chemical data
data = atomic.load_data()

# Access a specific compound
compound_name = "H2O"
compound_info = data.get(compound_name)

if compound_info:
    print(f"{compound_name}: {compound_info}")
else:
    print(f"Compound {compound_name} not found.")

# Display help information
atomic.help()

Key Functions

• hello_atomicspy(): Prints a welcome message.
• load_data(): Loads chemical data from CSV and JSON files.
• help(): Provides help information, listing available functions and repository links.

Documentation

For more details, refer to the AtomicPy Documentation.

Contributing

Contributions are encouraged! To contribute, please fork the repository and submit a pull request.

Reporting Issues

If you encounter any issues, report them on the Issues page.

License

This project is licensed under the MIT License. See the LICENSE file for more details.

Acknowledgments

This library is inspired by the original Atomic project by Mahdin H.C.