JavaScript is required to consult this page

Tools

UQSA

Uncertainty quantification via ABC-MCMC with copulas as well as global sensitivity analysis for ODE models in systems biology. This R package can approximate the posterior probability density of Parameters for Ordinary Differential Equation models. The ABC sampler used here is developed to be fairly model agnostic, but the supplied tool set and R functions specifically target ODEs as they are fast enough to simulate to permit Bayesian methods. Bayesian methods for parameter estimation are resource intensive and therefore require some consideration of efficiency in simulation. Other modeling frameworks exist, with benefits of higher accuracy in specific scenarios (e.g. low molecule count), or reduced complexity (rule based models). We have written a sibling library for R that facilitates the simulation of systems biology specific models using the GNU scientific library solvers (and models written in C). With powerful enough computing hardware, or small enough models, these frameworks can be combined with this package. We write models using the SBtab format and automatically generate C-code as well as R-code for them, the R-code can be used with deSolve (an R package) while the C-code is compatible with gsl_odeiv2 solvers. Code generation is done via SBtabVFGEN (an R package) and vfgen (a standalone software). In addition, we are writing our own substitution for vfgen, to avoid single points of failure. But the model setup phase can be completely sidestepped by writing the C-code manually (or generating it in any other way).

Modelling and simulation

Vaa3D

Vaa3D is a handy, fast, and versatile 3D/4D/5D Image Visualization and Analysis System for Bioimages and Surface Objects. It also provides many unique functions that you may not find in other software. It is Open Source, and supports a very simple and powerful plugin interface and thus can be extended and enhanced easily. Vaa3D is cross-platform (Mac, Linux, and Windows). This software suite is powerful for visualizing large- or massive-scale (giga-voxels and even tera-voxels) 3D image stacks and various surface data. Vaa3D is also a container of powerful modules for 3D image analysis (cell segmentation, neuron tracing, brain registration, annotation, quantitative measurement and statistics, etc) and data management. This makes Vaa3D suitable for various bioimage informatics applications, and a nice platform to develop new 3D image analysis algorithms for high-throughput processing. In short, Vaa3D streamlines the workflow of visualization-assisted analysis. Vaa3D can render 5D (spatial-temporal) data directly in 3D volume-rendering mode; it supports convenient and interactive local and global 3D views at different scales... it comes with a number of plugins and toolboxes. Importantly, you can now write your own plugins to take advantage of the Vaa3D platform, possibly within minutes!

Data analysis and visualisation

VIOLA

VIOLA (Visualization Of Layer Activity) is a lightweight, open-source, web-based, and platform-independent application combining and adapting modern interactive visualization paradigms, such as coordinated multiple views, for massively parallel neurophysiological data. It gives an insight into spatially resolved time series such as simulation results of neural networks with 2D geometry. With the multiple coordinated views, an explorative and qualitative assessment of the spatiotemporal features of neuronal activity can be performed upfront of a detailed quantitative data analysis of specific aspects of the data.

Data analysis and visualisation

Vishnu

DC Explorer, Pyramidal Explorer and Clint Explorer are the core of an application suite designed to help scientists to explore their data. Vishnu is a communication framework that allows them to interchange information and cooperate in real-time. It provides a unique access point to the three applications and manages a database with the users’ data sets.

Data

ViSimpl

ViSimpl involves two components: SimPart and StackViz. SimPart is a three-dimensional visualizer for spatio-temporal data that allow spatio/temporal analysis of the simulation data, using particle-based rendering. StackViz illustrates how the electrophysiological variables evolve over time and provides a temporal representation of the data at different aggregation levels. They allow users to visually discriminate the activity of different groups of neurons, and provide detailed information about individual neurons of interest. These components share synchroniszed playback control of the simulation being analyzsed and work together as linked views, although they are loosely coupled and can also be used independently. They are ready to be used with BlueConfig Datasets among other file formats such as specific HDF5 and CSV. VisSimpl can be coupled with NeuroScheme for adding functionality such as navigate through the underlying structure of the data using symbolic representations and different levels of abstraction.

Modelling and simulationCellular level simulationData analysis and visualisation

VisuAlign

Software for 2D image registration to 3D atlas.

Brain atlasesData integration

Viziphant

Viziphant is a Python module for easy visualization of Neo objects and Elephant results. It provides a high-level API to easily generate plots and interactive visualizations of neuroscientific data and analysis results. This API uses and extends the same structure as in Elephant to ensure intuitive usage for scientists that are used to Elephant.

Data analysis and visualisation

voluba – Alignment of high-resolution volumes of interest

Using voluba, you can upload an image file to a private storage space and register it interactively to a reference space in your web browser. Currently, voluba supports the BigBrain model, Waxholm rat template and Allen mouse template as reference spaces. voluba is compatible with siibra-explorer, so you can directly inspect your aligned data superimposed with brain region maps and other datasets. You can also submit your anchoring result to EBRAINS curation support for sharing.

Brain atlasesData integration

voluba-mriwarp – Aligning human MRI volumes to atlas space

voluba-mriwarp enables you to integrate human whole-brain MRI scans into the detailed anatomical context of the Human Brain Atlas on your local computer. The tool automatically performs registration based on predefined parameters. The results can be used to assign anatomical locations to brain regions of the atlas. To perform a more detailed analysis, you can export assignments to a PDF report together with linked features like receptor densities or brain connectivity.

Brain atlasesData integration

VTK

VTK is an open-source software system for image processing, 3D graphics, volume rendering and visualization. VTK includes many advanced algorithms (e.g., surface reconstruction, implicit modelling, decimation) and rendering techniques (e.g., hardware-accelerated volume rendering, LOD control). VTK is used by academicians for teaching and research; by government research institutions such as Los Alamos National Lab in the US or CINECA in Italy; and by many commercial firms who use VTK to build or extend products. The origin of VTK is with the textbook "The Visualization Toolkit, an Object-Oriented Approach to 3D Graphics" originally published by Prentice Hall and now published by Kitware, Inc. (Third Edition ISBN 1-930934-07-6). VTK has grown (since its initial release in 1994) to a world-wide user base in the commercial, academic, and research communities.

Data analysis and visualisation

VTK-m

One of the biggest recent changes in high-performance computing is the increasing use of accelerators. Accelerators contain processing cores that independently are inferior to a core in a typical CPU, but these cores are replicated and grouped such that their aggregate execution provides a very high computation rate at a much lower power. Current and future CPU processors also require much more explicit parallelism. Each successive version of the hardware packs more cores into each processor, and technologies like hyperthreading and vector operations require even more parallel processing to leverage each core’s full potential. VTK-m is a toolkit of scientific visualization algorithms for emerging processor architectures. VTK-m supports the fine-grained concurrency for data analysis and visualization algorithms required to drive extreme scale computing by providing abstract models for data and execution that can be applied to a variety of algorithms across many different processor architectures.

Data analysis and visualisation

WebAlign

EBRAINS users can create their own workspace for analysing 2D histological section images.In this space, the data can be uploaded and registered to a common reference atlas using the webAlign service. Several other tools are available as well that can be combined in different workflows for further analysis.

Brain atlasesData integration

WebWarp

WebWarp is an online tool for nonlinear refinement of spatial registration of histological section images from rodent brains to reference 3D atlases. Webwarp is compatible with registration performed with the WebAlign tool. Different experimental datasets registered to the same reference atlas allows you to spatially integrate, analyse and navigate these datasets within a standardised coordinate system. The output of Webwarp can be used for analysis in the online QUINT workflow.

Brain atlasesData integration

Whole-brain linear effective connectivity (WBLEC) estimation

These Python notebooks reproduce some figures in the following preprint using the libraries pyMOU and NetDynFlow: https://www.biorxiv.org/content/10.1101/531830v2 The notebook 1_MOUEC_Estimation.ipynb should be executed first to tune the model to the fMRI data. The other notebooks can be used for classification and interpretation of the model (using the flow for network analysis). The data files are: BOLD time series in ts_emp.npy structural connectivity in SC_anat.npy ROI labels in ROI_labels.npy --- ####Notebook 1_MOUEC_Estimation.ipynb This notebook calculates the functional connectivity and the model-based effective connectivity for each session (or run) and subject from the BOLD time series. The model is a multivariate Ornstein-Uhlenbeck (MOU) process, whose estimation procedure is implemented in the pyMOU library. The model estimates and other measures are stored in the form of arrays in the model_param_movie folder. --- ####Notebooks 2a_ClassificationTasks.ipynb and 2b_ClassificationSubjects.ipynb These notebooks compare the performances of the several type of connectivity measures (including functional and effective connectivity) in identifying cognitive tasks and subjects. They rely on the scikit.learn library. --- ####Notebook 3a_Flow.ipynb This notebook uses the NetDynFlow library to calculate the flow, which is network-oriented analysis of the MOU model fitted to the BOLD data. The flow corresponds to the input response of the network to perturbation (or stimulation of given regions). The flow captures network effects that arise from the recurrent connectivity, i.e. also taking into account indirect paths between all pairs of regions. --- ####Notebook 3b_Communities.ipynb This notebook detects communities based on the flow, namely brain regions are grouped together if they exchange strong flow in the network. It also compares the community structure between rest and movie.

Modelling and simulation

Woken

Woken provides a web service and an API to execute on demand data analytics and machine learning algorithms encapsulated in Docker containers. Algorithms and their runtime are fetched from the Algorithm Repository, a Docker registry containing approved and compatible algorithms and their runtimes. Woken provides the algorithms with data loaded from a database, monitors the execution of the algorithm other one machine of a cluster, then it collects the result formatted as a PFA document and returns a response to the client. Woken tracks provenance information, runs cross-validation of the models produced by the ML algorithms.

Data analysis and visualisation

ZetaStitcher

ZetaStitcher was designed to stitch the large volumetric datasets that are produced, for example, with Light-Sheet Microscopy when imaging large samples (such as a whole mouse brain) at high resolution. This tool computes optimal alignment of adjacent tiles by evaluating the cross-correlation of overlapping areas at selected stack depths. This ensures a high throughput, since a large dataset need not be processed in its entirety. Cross-correlation is computed efficiently by means of FFT. The software is fully written in Python and exposes an Application Programming Interface (API) that can be used to perform queries on the stitched dataset for further processing.

Data

τ-RAMD

The τRAMD (τ-Random Acceleration Molecular Dynamics) technique makes use of RAMD simulations to compute relative residence times (or dissociation rates) of protein-ligand complexes. In the RAMD method, the egress of a small molecule from a target receptor is accelerated by the application of an adaptive randomly oriented force on the ligand. This enables ligand egress events to be observed in short, nanosecond timescale simulations without imposing any bias regarding the ligand egress route taken. Apart from the estimation of relative residence times, the τRAMD method can be used to investigate dissociation mechanisms and characterize transition states by analysing the RAMD trajectories with the MD-IFP (Molecular Dynamics - Interaction Fingerprint) tool. The combined use of τRAMD and MD-IFP may assist the early stages of drug discovery campaigns for the design of new molecules or ligand optimization.

Modelling and simulation

τRAMD

τRAMD is a computationally efficient procedure that enables the computation of relative residence times (τ) or dissociation rates of protein-ligand complexes. It makes use of random acceleration molecular dynamics (RAMD) simulations to facilitate ligand egress in a short timescale and without imposing any bias regarding the ligand egress route. τRAMD is a powerful tool for ranking drug candidates according to their residence times and it can be used with the MD-IFP (Molecular Dynamics - Interaction Fingerprint) tool to investigate dissociation mechanisms and pathways. The combined use of τRAMD and MD-IFP may assist the design of new molecules or ligand optimization.

Modelling and simulationMolecular and subcellular simulation

Results: 235 - 252 of 252

Make the most out of EBRAINS

EBRAINS is open and free. Sign up now for complete access to our tools and services.

Ready to get started?Create your account