OpenMMSLICER (Sequential LIgand Conformational ExploreR) is a Python library which uses OpenMM to perform sequential Monte Carlo (SMC) simulations which enhance the sampling of specific degrees of freedom using an alchemical approach.
This package requires OpenMM and OpenMMTools. Afterwards, it can be installed by running setup.py
:
python setup.py install
Full docstring documentation can be found here. There are also a few examples which you can run to see how OpenMMSLICER works.