Setting up your system

To use the VAMPyR Python package, you have two main options: working online or setting up your local environment.

For online access, Binder allows you to run the Jupyter notebooks in the cloud without any local setup.

For local use, setting up your Python environment correctly is crucial. The Conda package and environment manager is recommended for installing binary packages, including VAMPyR, in an isolated and reproducible software environment.

For installation instructions, please refer to the VAMPyR GitHub repository:

• VAMPyR

Install Miniconda

To install Miniconda, follow the official Miniconda installation instructions.