All software
calibr8
calibr8 is a Python toolbox for likelihood-based calibration modeling and Bayesian inference. It supports uni- and multivariate problems, continuous & discrete distributions and includes ready to use models for many non-linear problems. It integrates with PyMC for advanced Bayesian inference.
- Calibration
- Data analysis
- Earth & Environment
- + 4
- Python
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
- Fortran
- + 5
Mallob
Automated Reasoning in HPC and Cloud Environments: Scheduling, Solving, Proving
- automated reasoning
- High performance computing
- job scheduling
- + 2
- C++
- Shell
- Python
- + 3
Representation of Protein Entities (RoPE)
RoPE clusters related protein structures on torsion angles to derive an interpretable, mathematical conformational space of that protein, revealing relevant protein dynamics.
- C++
- Data analysis
- Data Visualization
- + 4
- C++
- C
- GLSL
- + 4
AWI GPT
Four tools - ClimSight, pangaeaGPT, AWI_chatbot, and CMIP6 search - use LLMs to enhance research and operations. pangaeaGPT aids dataset exploration, ClimSight provides location-specific climate insights, AWI_chatbot streamlines internal tasks at AWI, and CMIP6 search improves access to CMIP6 data.
- AWI Chatbot
- Climate
- ClimSight
- + 6
ClimSight
ClimSight is a tool designed to make localized climate information both accessible and actionable. By integrating large language models (LLMs) with geographical and climate data, ClimSight provides users with tailored, location-specific insights essential for a variety of applications.
- Climate
- climate modelling
- ClimSight
- + 1
- Python
- TypeScript
- CSS
- + 3
CorC
With CorC, we implemented an IDE to create programs following the Correctness-by-Construction approach. Starting with an abstract specification, CorC supports CbC developers in refining a program by a sequence of refinement steps and in verifying the correctness of these refinements.
- Eclipse
- WebCorC
- Java
- ANTLR
TetraX
TetraX is a package for finite-element-method (FEM) micromagnetic modeling with the aim of providing user-friendly and versatile micromagnetic workflows. Among other features, it allows to efficiently calculate spin-wave spectra in different magnetic systems of general geometries.
- finite-element-method
- magnetization dynamics
- micromagnetic modeling
- + 4
- Python
- C
- Cython
CellRank
CellRank is a computational framework to study cellular fate decisions based on various types of single-cell genomics data. CellRank scales to large cell numbers, is fully compatible with the scverse ecosystem, and is easy to use.
- Data analysis
- fate mapping
- fate prediction
- + 7
- Python
perun
perun is a Python package that calculates the energy consumption of Python scripts by sampling usage statistics from hardware interfaces. It can handle MPI applications, gather data from hundreds of nodes, and accumulate it efficiently.
- Earth & Environment
- Energy
- FAIR Software
- + 2
- Python
Stable-Baselines3
Stable Baselines3 (SB3) is a set of reliable implementations of reinforcement learning algorithms in PyTorch.
- Machine learning
- robotics
- Python
- Shell
- Makefile
- + 1
LaPy
LaPy is an open-source Python package for differential geometry on triangle and tetrahedra meshes. It includes an FEM solver to estimate the Laplace, Poisson or Heat equations, also the computations of gradients, divergence, mean-curvature flow, conformal mappings, geodesics, ShapeDNA and more.
- computational geometry
- FEM
- Laplace
- + 4
- Python