OdorPrediction

Description

OdorPrediction is a project designed to predict odors using machine learning techniques. This project includes configuration management, automatic documentation generation, and tools for code review.

Tools used in this project

• hydra: Manage configuration files - article
• pdoc: Automatically create an API documentation for your project
• pre-commit plugins: Automate code reviewing formatting
• PyTorch: Deep Learning framework
• PyTorch Geometric: Library built upon PyTorch to easily write and train Graph Neural Networks (GNNs)
• RDKit:Is open-source toolkit for cheminformatics

Set up the environment

1. Create the virtual environment:

python3 -m venv venv

2. Activate the virtual environment:

• For Linux/MacOS:

source venv/bin/activate

• For Command Prompt:

.\venv\Scripts\activate

3. Install dependencies:

• To install all dependencies, run:

pip install -r requirements-dev.txt

• To install only production dependencies, run:

pip install -r requirements.txt

• To install a new package, run:

pip install <package-name>

Auto-generate API documentation

To auto-generate API document for the project, run:

make docs

Run API

uvicorn app.src.api:app

Contributions

Contributions are welcome. If you would like to contribute, please open an issue or a pull request.