Prerequisites

OS

polymerist is compatible with Linux (recommended) and Mac machines with Python installed. Due to lack of support from AmberTools, direct installation on Windows machines is not supported; however, this can easily be circumvented by using the Windows Subsystem for Linux (WSL2)

Python

polymerist is compatible with Python 3.11 and Python 3.12; attemping to install with older versions of Python will not work.

Python package manager

Before proceeding with installation, ensure you have some iteration of a Python package and environment management system installed on your machine. If you don’t already have one installed, it’s recommended you install either of:

• mamba through Miniforge

• conda either as the lightweight Miniconda or the significantly bulkier Anaconda.

mamba is very rapid and is the recommended package manager for this install; if you opt to use `conda` over `mamba`, be prepared for a markedly slower and more tedious install process! Users with a pre-existing conda installation can still install mamba, so there’s really no reason not to use it.

Once you have a package manager installed, you may proceed with one of the installation methods detailed below.