HITS 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.
Generating Highly Designable Proteins with Geometric Algebra Flow Matching
Generating structurally diverse and physically realizable protein backbones remains one of the grand challenges in protein design. We propose a generative …
GFKIT: Memoization for faster computations on genealogical forests
The field of population genetics attempts to advance our understanding of evolutionary processes. It has applications, for example, in medical research, …
Tools for molecular design
On 21-23 June 2023, two workshops on Brain research took place at the Mathematikon, Heidelberg University: The second HBPMolSIM training workshop on …
ReStore checkpointing library
Fault-tolerant distributed applications require mechanisms to recover data lost via a process failure. On modern cluster systems it is typically impractical …
SABIO-RK understands EnzymeML
In the last years, the SDBV group collaborated with partners from Germany, the U.S. and the UK on the development …
PFVG – A novel probabilistic approach to separate galaxy from nuclear contribution in quasars
Quasars are considered the most energetic galaxies in the universe. Their main energy source is a supermassive black hole at the …
FAIRDOM-SEEK – a web-based platform for scientific datasets
FAIRDOM-SEEK is an open source, web-based platform for the management of heterogeneous scientific research datasets, models or simulations, workflows, and research …
New version of TRAPP released
Researchers from the Molecular and Cellular Modeling (MCM) group at HITS released a new version of the TRAnsient Pockets in Proteins (…
τRAMD – compute protein-ligand dissociation rates and explore dissociation mechanisms
Researchers from the Molecular and Cellular Modeling (MCM) group at HITS have developed and validated τRAMD (τ-Random Acceleration Molecular Dynamics),an …
SDA7 – Brownian Dynamics Simulations of Proteins
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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