/tools/mdapy

mdapy

mushroomfire/mdapy

92 stars13 forksPythonWebsiteAdded February 4, 2026
summary

mdapy is a Python library designed for the analysis of molecular dynamics simulation data. It offers a suite of tools for processing atomic trajectories and performing structural analysis, making it a valuable resource for researchers in computational chemistry and materials science.

description

A simple and fast python library to handle the data generated from molecular dynamics simulations

topics

molecular-dynamicstaichimaterial-science

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