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ecosystem-mdanalysis

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Scindices / MDAnalysis--mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics simulations.

status-active lang-python task-file-io task-structure-analysis entity-protein entity-small-molecule interface-api status-published status-packaged-pypi status-packaged-conda method-physics method-statistics domain-molecular-simulation task-trajectory-analysis entity-trajectory role-toolkit ecosystem-mdanalysis scope-swissknife

Updated Jul 23, 2026
Python

Scindices / HITS-MCM--MD-IFP

MD trajectory analysis using protein-ligand Interaction Fingerprints

status-active lang-python role-application method-chemoinformatics entity-protein entity-small-molecule interface-jupyter status-published scope-focused domain-drug-discovery entity-complex domain-molecular-simulation task-trajectory-analysis entity-trajectory ecosystem-mdanalysis task-interaction-analysis

Updated Sep 23, 2025
Jupyter Notebook

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