Software Highlights

You can find all HITS Software Highlights below. Further, you can find more information on the tools and software developed at HITS on the group pages.

FAIRDOM-SEEK – a web-based platform for scientific datasets

25. November 2021

FAIRDOM-SEEK is an open source, web-based platform for the management of heterogeneous scientific research datasets, models or simulations, workflows, and research …

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New version of TRAPP released

4. November 2021

Researchers from the Molecular and Cellular Modeling (MCM) group at HITS released a new version of the TRAnsient Pockets in Proteins (…

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τRAMD – compute protein-ligand dissociation rates and explore dissociation mechanisms

4. November 2021

Researchers from the Molecular and Cellular Modeling (MCM) group at HITS have developed and validated τRAMD (τ-Random Acceleration Molecular Dynamics),an …

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SDA7 – Brownian Dynamics Simulations of Proteins

4. November 2021

Researchers from the Molecular and Cellular Modeling (MCM) group at HITS are developing the software “Simulation of Diffusional Association” (SDA) 7. …

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HiFlow³ – Software module development for Finite Element simulation

22. September 2021

HiFlow³ is a multi-purpose finite element software providing powerful tools for efficient and accurate solution of a wide range of problems …

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Biomedisa – an open-source online platform for biomedical image segmentation

2. September 2021

In many scientific disciplines, the key to extracting meaningful information from large three-dimensional images, obtained from X-ray tomography or optical microscopy, …

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FDA – detect and follow force in proteins

5. July 2021

Force distribution analysis (FDA) is a method to detect and follow force and stress propagation in proteins, reminiscent of Finite Element …

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KIMMDY – a hybrid approach for Molecular Dynamics (MD) simulation

5. July 2021

The simulation scheme called KIMMDY (Kinetic Monte Carlo / Molecular Dynamics) enables covalent bond breakages in all-atom Molecular …

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“SoftWipe” – open-source tool and benchmark to assess the quality of scientific software

5. July 2021

Digital tools are essential in almost all scientific disciplines. Reliable, carefully developed software is particularly important when large amounts of research …

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Evaluating probabilistic forecasts with scoringRules

28. June 2021

Comparing predictive performance Forecasts are generally surrounded by uncertainty and being able to quantify this uncertainty is key to good decision …

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