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MDGraphEmb - Data

Posted on 2025-02-12 - 19:25 authored by Alessandro Pandini

Data collection for MDGraphEmb, a Python library built on MDAnalysis, designed to facilitate the conversion of protein conformation data into graph-based representations and graph embeddings.


MDGraphEmb provides a framework that supports a range of graph embedding techniques and machine learning models to create workflows to analyse protein dynamics and identify important protein conformations.

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FUNDING

DTP 2020-2021 Brunel University London

Engineering and Physical Sciences Research Council

HECBioSim: The UK High End Computing Consortium for Biomolecular Simulation.

Engineering and Physical Sciences Research Council

IEC\R2\242053 Royal Society International Exchanges 2024

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