MLLPA

MLLPA (Machine Learning-assisted Lipid Phase Analysis) is a Python 3 library developed to analyse lipid membranes generated during molecular dynamics (MD) simulation runs in order to predict the phase of each lipid and map the local environment of the lipids in the bilayer.

The complete documentation of the software, as well as some tutorials, can be found on the related GitHub page.

For more informations on MLLPA, please read the papers we published on it:

• Walter et al., A machine learning study of the two states model for lipid bilayer phase transitions, PCCP 2020, 22, 19147-54

• Walter et al., MLLPA: A Machine Learning-assisted Python module to study phase-specific events in lipid membranes, J. Comp. Chem. 2021