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Installation

Requirements

PROVESID requires Python 3.8 or higher and the following dependencies:

  • requests >= 2.25.0
  • pandas >= 1.3.0
  • numpy >= 1.21.0

Install from PyPI

The easiest way to install PROVESID is using pip:

pip install provesid

Install from Source

To install the latest development version from GitHub:

git clone https://github.com/provesid/provesid.git
cd provesid
pip install -e .

Development Installation

For development, install with additional dependencies:

git clone https://github.com/provesid/provesid.git
cd provesid
pip install -e ".[dev]"

This includes: - pytest for testing - black for code formatting - flake8 for linting - mkdocs for documentation

Verify Installation

Test your installation by importing the main modules:

import provesid
from provesid import PubChemAPI, NCIChemicalIdentifierResolver, PubChemView

# Check version
print(provesid.__version__)

# Quick test
api = PubChemAPI()
result = api.get_compound_by_cid(2244)  # Aspirin
print(f"Successfully retrieved compound with CID 2244")

Optional Dependencies

Some features require additional packages:

For Jupyter Notebook Support

pip install jupyter ipywidgets

For Advanced Data Analysis

pip install scipy scikit-learn matplotlib seaborn

For Chemical Structure Visualization

pip install rdkit-pypi

Troubleshooting

Common Issues

Import Error: If you get import errors, make sure you have the correct Python version and all dependencies installed:

python --version  # Should be 3.8+
pip list | grep provesid

Network Issues: PROVESID makes API calls to external services. If you're behind a firewall or proxy, you may need to configure your network settings:

import requests
# Set proxy if needed
proxies = {
    'http': 'http://proxy.company.com:8080',
    'https': 'https://proxy.company.com:8080'
}
# Pass proxies to API calls as needed

Rate Limiting: If you encounter rate limiting errors, the package includes automatic retry mechanisms. You can adjust the delay between requests:

from provesid import PubChemAPI

# Increase delay between requests
api = PubChemAPI(pause_time=1.0)  # 1 second between requests

Getting Help

If you encounter issues:

  1. Check the GitHub Issues for known problems
  2. Review the API documentation for usage examples
  3. Create a new issue with detailed error information

Next Steps

Once installed, head to the Quick Start Guide to begin using PROVESID!