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PythonFSDAM

A small python3 library that contains the interfaces and factories to setup and postprocess non equilibrium alchemical transformations.

If you are looking for a easy user interface, higher level functions, and more information in general check out HPC_Drug.

Installation

python -m pip install git+https://github.com/MauriceKarrenbrock/PythonFSDAM.git

Documentation

Read the documentation here.

Code

The code can be found here.

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