AMEP 1.2.0 documentation#
AMEP is a Python library that focuses on the fast and user-friendly analysis of active and soft matter simulations. It can natively analyze data from molecular dynamics, Brownian dynamics, and continuum simulations from software such as LAMMPS, HOOMD-blue, and GROMACS.
With a plethora of methods for calculating observables and visualizing results, AMEP is suitable for calculating complex observables equally for advanced studies of active and soft matter, as well as for beginners in the field. Computationally intensive methods are parallelized to run on systems ranging from laptops and workstations to high-performance computing clusters.
AMEP utilizes the simplicity of NumPy for users to extract data from the internal functions, which allows for easy extension and individualization of analyses and handling of results and data with existing Python workflows. Additionally, AMEP provides an efficient data format for saving both simulation data and analysis results in a binary file based on the well-established HDF5 file format.
The methods range from correlation functions and order parameters to cluster detection and coarse-graining methods. For examples check out our Getting Started section and the documentation can be found in the API Reference. AMEP can be installed via pip and conda.