Natural Sciences & Engineering
CoupledNODE
CoupledNODE.jl is a SciML repository that extends NODEs (Neural Ordinary Differential Equations) to C-NODEs (Coupled Neural ODEs), providing a data-driven approach to modelling solutions for multiscale systems when exact solutions are not feasible.
- Julia Language
- Julia Package
- Machine learning
- + 1
- Julia
- Shell
DeepRank GNN
DeepRank-GNN is the graph neural network of our DeepRank package. DeepRank GNN allows to train graph neural networks to classify protein-protein interface
- Machine learning
- Protein-Protein Interaction
- Python
DIANNA
Deep Insight And Neural Network Analysis, DIANNA is the only Explainable AI, XAI library for scientists supporting Open Neural Network Exchange, ONNX - the de facto standard models format.
- Explainable AI
- Image processing
- Machine learning
- + 2
- Jupyter Notebook
- Python
- TeX
duqtools
Duqtools is a tool for Dynamic Uncertainty Quantification for Tokamak reactor simulations modelling.
- fusion-reactor
- modelling
- python
- + 2
- Jupyter Notebook
- Python
- Shell
eAstroViz
This tool can convert and visualize radio astronomy measurement sets, as well as most LOFAR intermediate data products. It also performs RFI mitigation.
- LOFAR
- radio astronomy
- RFI
- Java
- C++
- Cuda
- + 3
Eigencuda
Offload Eigen matrix-matrix multiplications to an Nvidia GPU
- GPU
- High performance computing
- C++
- CMake
fairworkflows
A python library for constructing, annotating and publishing scientific workflows described using semantic technologies.
- Python
- HTML
- Common Workflow Language
- + 1
flamingo
Compute and filter molecular properties for quantum dot ligands
- High performance computing
- Python
Davidson diagonalization in Fortran
This package contains a Modern Fortran implementation of the Davidson diagonalization algorithms to compute several eigenvalue-eigenvector pairs of a symmetric matrix
- High performance computing
- Fortran
- CMake
- Python
frbcat-web
Provides an easy to-use web frontend to browse and filter the Fast Radio Burst Catalogue.
- Optimized data handling
- Visualization
- JavaScript
- CSS
- HTML
gemdat
a Generalized Molecular Dynamics Analysis Tool
- analysis
- molecular dynamics
- python
- + 1
- Python
- Nix
HERA_CAL_QUANTUM
Radioastronomy calibration pipeline of the HERA telescope ported on quantum computers
- calibration
- python
- Quantum Computing
- + 1
- Jupyter Notebook
- Python
- Shell