All software
CP2K
CP2K is a quantum chemistry and solid state physics software package running on graphics processing units and thousands of processing units. It is open-source and allows simulations, spectroscopy, vibrational analysis and energy minimization on a vast variety of theory levels.
- electronic structure
- GPU
- High performance computing
- + 5
- Fortran
- C
- Python
- + 13
PIConGPU
PIConGPU is a relativistic Particle-in-Cell code running on graphic processing units as well as regular multi-core processors. It is Open Source und is freely available for download. It can be used to study plasmas with relativistic dynamics, solving the Maxwell-Vlasov system of equations.
- C++
- CPU
- GPU
- + 9
- C++
- Python
- Shell
- + 5
SeisBench: A toolbox for machine learning in seismology
SeisBench is an open-source Python toolbox for machine learning in seismology. It brings together the whole machine learning model lifecycle: datasets and benchmarks, models and training pipelines, and efficient implementations for deploying the models in production.
- Earth & Environment
- GPU
- Helmholtz AI
- + 4
- Jupyter Notebook
- Python
GAIA
A framework to study the thermo-chemical evolution of rocky and icy bodies (planets, moons, and planetoids) on a global scale in the solar system and beyond.
- CFD
- Computational Fluid Dynamics
- Earth & Environment
- + 4
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.
- Data analysis
- FAIR Data
- Genomics
- + 3
- Python
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.
- C++
- CPU
- CUDA
- + 7
- C++
- CMake
- Shell
- + 1
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.
- GPU
- High performance computing
- Large linear equation system
- + 4
- C++
- CMake
- Cuda
- + 4
MPTRAC
Massive-Parallel Trajectory Calculations (MPTRAC) is a Lagrangian particle dispersion model for the analysis of atmospheric transport processes in the free troposphere and stratosphere.
- Atmospheric science
- Climate
- Earth & Environment
- + 6
- C
- Shell
- HTML
- + 3
Heat
Heat is a flexible and seamless open-source software for high performance data analytics and machine learning. It provides highly optimized algorithms and data structures for tensor computations using CPUs, GPUs and distributed cluster systems on top of MPI.
- CPU
- Data analysis
- GPU
- + 4
- Python
- Shell
- Dockerfile
ChASE
ChASE is a modern and scalable library to solve dense Hermitian (Symmetric) algebraic eigenvalue problems based on a spectral polynomial filter. The library is fully parallelized, and is particularly effective for sequences of eigenproblems as they often arise in electronic structure theory.
- C++
- Eigensolver
- GPU
- + 6
- C++
- Cuda
- CMake
- + 3
PtyLab.m/py/jl
A cross-platform, open-source inverse modeling toolbox for conventional and Fourier ptychography
- computational physics
- Data analysis
- Data Visualization
- + 10
- Jupyter Notebook
- Python
Independent Parallel Particle Layer (IPPL)
IPPL is a C++ library to develop performance portable code for fully Eulerian, Lagrangian or hybrid Eulerian-Lagrangian methods. IPPL supports simulations in one to six dimensions, mixed precision, and asynchronous execution in different execution spaces (e.g. CPUs and GPUs).
- Computational Fluid Dynamics
- GPU
- High performance computing
- + 5
- C++
- TeX
- CMake
- + 3