/tools/pytim
pytim
Marcello-Sega/pytim
summary
Pytim is a Python package designed for the interfacial analysis of molecular simulations, allowing users to identify fluid interfaces and analyze molecular layers. It integrates with popular molecular dynamics tools like MDAnalysis and MDTraj, facilitating online analysis during simulations.
description
a python package for the interfacial analysis of molecular simulations
topics
simulationsmolecular-dynamicsdata-analysismdanalysisgromacsnamdcharmmlammpsinterfacesscientific-computingwillard-chandlermolecular-simulationsmdtrajinterfacial-atomsopenmmpythonsasa
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