All software

Materials Learning Algorithms

MALA (Materials Learning Algorithms) is a data-driven framework to accelerate electronic structure calculations based on machine learning. Its purpose is to construct neural-network surrogate models for bypassing computationally expensive steps in state-of-the-art density functional simulations.

ESMValCore

RiboDetector

RiboDetector is designed to rapidly and accurately detect rRNA sequences from metagenomic, metatranscriptomic, and ncRNA sequencing data. It has been optimized for use with both CPUs and GPUs. It outperforms existing software by delivering 10-50x faster runtime and ~10x fewer false classifications.

BlenderProc

A procedural Blender pipeline for photorealistic training image generation

BrainPrint

Our BrainPrint tools provide shape descriptors of neuroanatomical structures and require a FreeSurfer or FastSurfer segmentation as a pre-processing step. BrainPrint is based on “ShapeDNA” a spectral shape descriptor.

BornAgain

Software to simulate and fit neutron and x-ray reflectometry and grazing-incidence small-angle scattering. The latter is computed as usual, using the distorted-wave Born approximation, hence the name. Users can set up arbitrary multilayer samples with interface roughness and embedded nanoparticles.

Kadi4Mat

Kadi4Mat is a generic and open source virtual research environment.

alpaka

The alpaka library is a header-only C++17 abstraction framework designed for computing accelerator development. It enables developers to implement algorithms once and execute them across a range of platforms, including x86, ARM, and RISC-V CPUs, as well as accelerators from NVIDIA, AMD, and Intel.

Ginkgo

Ginkgo is a high-performance math library for the solution of sparse linear systems on GPUs (AMD, Intel, NVIDIA). Ginkgo is implemented using modern C++ and provides preconditioned Krylov solvers, multigrid, sparse direct solvers, mixed precision, and batched functionality.

JEMRIS

JEMRIS is a versatile, open-source, multi-purpose MRI simulator. It is well-suited for research and education.

oemof.solph

oemof.solph is a model generator for energy system modelling and optimisation. It facilitates the formulation of (mixed-integer) linear programs from a generic graph-based structure, allowing to create multi-sector models on different levels of detail with user-defined time-resolution.

Trixi.jl

Trixi.jl is a numerical simulation framework for conservation laws written in Julia with an extensible design with a fast implementation, Trixi.jl is focused on being easy to use for new or inexperienced users, including the installation and postprocessing procedures.