All software
OpenLB
OpenLB is a C++ package for the implementation of lattice Boltzmann methods (LBM) to address a vast range of transport problems, e.g. in computational fluid dynamics. The modular open source code enables fast implementation of academic test problems and advanced engineering applications.
- Computational Fluid Dynamics
- High Performance Computation
- Lattice Boltzmann Methods
- + 4
- C++
- C
- Python
- + 2
MS2DeepScore
Deep learning based similarity measure of mass spectrometry data.
- Jupyter Notebook
- Python
NNPDF
Fitting proton substructure to observation data using neural networks
- Machine learning
- Python
- Jupyter Notebook
- C
- + 5
ESMValCore
ESMValTool Core: core functionalities and driver for ESMValTool, a community diagnostic and performance metrics tool for routine evaluation of Earth System Models in CMIP.
- Big data
- Optimized data handling
- Visualization
- + 1
- Python
- Jupyter Notebook
- HTML
- + 5
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
Scholia
Graphical User Interface around Wikidata that uses SPARQL to collect data
- Wikidata
- JavaScript
- Python
- HTML
- + 3
FAIR Data Point
RESTful web service that enables data owners to expose their data sets using rich machine-readable metadata.
- Big data
- Inter-operability & linked data
- Python
- Makefile
- Dockerfile
Kernel Tuner
Kernel Tuner greatly simplifies the development of highly-optimized and auto-tuned CUDA, OpenCL, and C code, supporting many advanced use-cases and optimization strategies that speed up the auto-tuning process.
- Big data
- GPU
- High performance computing
- + 3
- Python
- Cuda
Parcels
Parcels (Probably A Really Computationally Efficient Lagrangian Simulator) is a set of Python classes and methods to create customisable particle tracking simulations using output from Ocean Circulation models. Parcels can be used to track passive and active particulates such as plastic and fish.
- lagrangian-ocean-modelling
- ocean-circulation-models
- particles
- Python
matchms
Python library for fuzzy comparison of mass spectrum data and other Python objects
- Big data
- Optimized data handling
- Python
- TeX
- Batchfile
- + 1
MAGMa
MAGMa is an online application for the automatic chemical annotation of mass spectrometry data.
- Big data
- Visualization
- Python
- JavaScript
- Makefile
- + 5
DeepRank
Deep learning framework for data mining protein-protein interactions using CNN
- Big data
- Machine learning
- Optimized data handling
- Python
- R
- C
- + 2