CORDIS Project
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The VTX-HPC project develops advanced software for visualizing large molecular dynamics simulations, enhancing performance and usability. It focuses on creating a compact file format and innovative rendering techniques to efficiently handle massive datasets while minimizing environmental impact.
Molecular Dynamics Simulations (MD) are widely used in molecular and structural biology and drug discovery to study the structure, properties and dynamics of small and macromolecules.
The size of the simulated systems (up to a billion atoms) and the length of the simulations (from microseconds in 2010 to milliseconds in 2021 in million atom scenes) have dramatically increased following the recent advances in computing hardware (GPU clusters) and storage.
Additionally, with the recent advances in…
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