MolecularFingerprints
Welcome to the documentation for MolecularFingerprints.jl - a Julia package for calculating molecular fingerprints.
From here you can view:
- Explanation — An explanation of what molecular fingerprints are and why they are useful.
- Tutorial: Getting Started — A tutorial on how to install and use the MolecularFingerprints.jl package.
- Tutorial: Solubility Prediction — A tutorial on using molecular fingerprints for predicting solubility.
- Tutorial: Similarity Search — A tutorial on performing similarity searches using molecular fingerprints.
- Fingerprint Types — A detailed overview of the different types of molecular fingerprints implemented in the package.
- API Reference — The complete API reference for the MolecularFingerprints.jl package.
- Developer Guide — A guide for developers interested in contributing to the MolecularFingerprints.jl package.
- Validation & Testing — Information on how the package is validated and tested.
- Best Practices — Recommendations and best practices for using molecular fingerprints effectively.
- FAQ — Frequently Asked Questions about molecular fingerprints and the MolecularFingerprints.jl package.