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Implementation of weighted ensemble filtering an Alanine Dipeptide.

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WeightedEnsemble

Python implementation of weighted ensemble filtering on Alanine Dipeptide. Relies heavily on pathos multiprocessing capabilities and OpenMM.

A detailed outline of the method can be found in WE_description.py.

Work reported here was run on hardware supported by Drexel's University Research Computing Facility.

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Implementation of weighted ensemble filtering an Alanine Dipeptide.

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