Welcome to MDFPtools’s documentation!

• Installation

Tutorial:

• Parameterisation
• Visualisation (Optional)
• Simulation
• Obtain Molecular Dynamics Fingerprint (MDFP)

API References:

• Parameterisers
• Simulators
• Extractors
• MDFP
• Composers
• Utils

Indices and tables

• Index

• Module Index

• Search Page