3DSpineMFE
A MATLAB® toolbox that given a three-dimensional spine reconstruction computes a set of characteristic morphological measures that unequivocally determine the spine shape.
Modelling and simulation
UG4
UG4 (Unstructured Grids 4) is an extensive, flexible, cross-platform open source simulation framework for the numerical solution of systems of partial differential equations. Using Finite Element and Finite Volume methods on hybrid, adaptive, unstructured multigrid hierarchies, UG4 allows for the simulation of complex real world models (physical, biological etc.) on massively parallel computer architectures.
UG4 is implemented in the C++ programming language and provides grid management, discretization and (linear as well as non-linear) solver utilities. It is extensible and customizable via its plugin mechanism. The highly scalable MPI based parallelization of UG4 has been shown to scale to hundred thousands of cores.
Simulation workflows are defined either using the Lua scripting language or the graphical VRL interface https://vrl-studio.mihosoft.eu/. Besides that, UG4 can be used as a library for third-party code.
Several examples are provided in the Examples application that can be used for simulations of the corresponding phenomena but also serve as demonstration modules for implementing user-defined plugins and scripts. By developing custom plugins, users can extend the functionality of the framework for their particular purposes. The framework provides coupling facilities for the models implemented in different plugins.
Key elements of UG4 are:
- Efficient solvers on distributed, adaptive multigrid hierarchies.
- A flexible component based discretization system.
- Efficient support for massively parallel computer architectures.
- Full scripting support.
- A modular plugin based architecture.
Other software
All softwareArbor
Arbor is a high-performance library for computational neuroscience simulations with multi-compartment, morphologically-detailed cells, from single cell models to very large networks. Arbor is written from the ground up with many-cpu and gpu architectures in mind, to help neuroscientists effectively use contemporary and future HPC systems to meet their simulation needs. Arbor supports NVIDIA and AMD GPUs as well as explicit vectorization on CPUs from Intel (AVX, AVX2 and AVX512) and ARM (Neon and SVE). When coupled with low memory overheads, this makes Arbor an order of magnitude faster than the most widely-used comparable simulation software. Arbor is open source and openly developed, and we use development practices such as unit testing, continuous integration, and validation.
Modelling and simulationCellular level simulation
BioExcel Building Blocks
BioExcel Building Blocks Workflows is a collection of biomolecular workflows to explore the flexibility and dynamics of macromolecules, including signal transduction proteins or molecules related to the Central Nervous System. Molecular dynamics setup for protein and protein-ligand complexes are examples of workflows available as Jupyter Notebooks. The workflows are built using the BioBB software library, developed in the framework of the BioExcel Centre of Excellence. BioBBis a collection of Python wrappers on top of popular biomolecular simulation tools, offering a layer of interoperability between the wrapped tools, which make them compatible and prepared to be directly interconnected to build complex biomolecular workflows.
Modelling and simulationMolecular and subcellular simulation