All software
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
Stable-Baselines3
Stable Baselines3 (SB3) is a set of reliable implementations of reinforcement learning algorithms in PyTorch.
- Machine learning
- robotics
- Python
- Shell
- Makefile
- + 1
Cheetah
Fast and differentiable particle accelerator optics simulation for reinforcement learning and optimisation applications.
- Automatic Differentiation
- Differentiable Programming
- Differentiable Simulation
- + 7
- Python
venco.py
A tool to derive battery electric vehicle energy demands from given trip data. venco.py provides normalized, aggregated electric vehicle fleet demand profiles for two cases: Uncontrolled charging and a technical (mobility-constrained) potential for controlled charging including vehicle-to-grid.
- electricity
- electric vehicles
- Flexibility
- + 2
- Python
Automating Requirements and Documentation Comprehension (ARDoCo)
Automating Requirements and Documentation Comprehension (ARDoCo) is a framework to connect architecture documentation, requirements, and models while identifying missing or deviating elements (inconsistencies). An element can be any representable item of the model like a software component.
- Consistency
- Documentation
- Inconsistency Detection
- + 6
- Java
- ANTLR
- Markdown
- + 3
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
- Jupyter Notebook
- Python
DataSAIL
DataSAIL is an open-source software tool that splits machine learning datasets while minimizing Information Leakage. It formulates the splitting of a dataset as a constrained minimization problem and optimizes the data split towards an objective function that accounts for information leakage.
- Convex Optimization
- data management
- Data Splitting
- + 3
- Python
- Smarty
- Shell
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
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
- + 5
Mallob
Automated Reasoning in HPC and Cloud Environments: Scheduling, Solving, Proving
- automated reasoning
- High performance computing
- job scheduling
- + 2
- C++
- Shell
- Python
- + 4
pySDC
pySDC is a Python implementation of the spectral deferred correction approach and its flavors, esp. the parallel-in-time extension PFASST. It is intended for rapid prototyping and educational purposes. New ideas can be tested and first toy problems can be easily implemented.
- collocation
- high-performance computing
- Information
- + 4
- Jupyter Notebook
- Python
- C++
- + 2
AiiDA-KKR
This AiiDA plugin provides high-throughput automation and FAIR data management for the Jülich KKR codes.
- Data Visualization
- FAIR Data
- Information
- + 4
- Python
- Shell
- OpenEdge ABL