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.