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README.md

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[![Codecov](https://img.shields.io/codecov/c/github/ntampellini/prism_pruner)](https://codecov.io/gh/ntampellini/prism_pruner)
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[![PyPI - Version](https://img.shields.io/pypi/v/prism_pruner)](https://pypi.org/project/prism-pruner/)
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<img src="images/prism_logo.png" alt="PRISM logo" class="center" width="500"/>
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PRISM (Pruning Interface for Similar Molecules) is the modular similarity pruning code originally from [FIRECODE](https://github.com/ntampellini/FIRECODE/tree/main), in a polished standalone package. It filters out duplicate structures from conformational ensembles, leaving behind non-redundant states.
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The code implements a cached, iterative, divide-and-conquer approach on increasingly large subsets of the ensemble and removes duplicates as assessed by one of three metrics:

images/prism_logo.png

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