Interpretation of metastable states from MD simulations
Install the python package in development mode:
pip install -e .
Project based on the Computational Molecular Science Python Cookiecutter version 1.6.
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A Python package to characterize metastable states with the help of machine learning
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CSML-IIT-UCL/md-stateinterpreter
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A Python package to characterize metastable states with the help of machine learning
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