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
- (C)
- (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.
- ("Common Workflow Language")
- (HTML)
- (Python)
- + 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
- (CMake)
- (Fortran)
- (Python)
frbcat-web
Provides an easy to-use web frontend to browse and filter the Fast Radio Burst Catalogue.
- Optimized data handling
- Visualization
- (CSS)
- (HTML)
- (JavaScript)
gemdat
a Generalized Molecular Dynamics Analysis Tool
- analysis
- molecular dynamics
- python
- + 1
- (Nix)
- (Python)
HERA_CAL_QUANTUM
Radioastronomy calibration pipeline of the HERA telescope ported on quantum computers
- calibration
- python
- Quantum Computing
- + 1
- ("Jupyter Notebook")
- (Python)
- (Shell)